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#+TITLE: Taming the fixed-node error in diffusion Monte Carlo via range separation
#+SUBTITLE: Supplementary information
#+AUTHOR: Anthony Scemama, Emmanuel Giner, Anouar Benali, Pierre-François Loos
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* Links to the codes
- Quantum Package : https://github.com/QuantumPackage/qp2
- RS-DFT Plug-in : https://github.com/eginer/qp_plugins_lct
- QMC=Chem : https://gitlab.com/scemama/qmcchem
* Gaussian-1 set calculations
** Geometries
Geometries are given in Angstrom, and taken from the NIST
"Computational Chemistry Comparison and Benchmark DataBase"
http://cccbdb.nist.gov/
*** BeH
#+begin_example
2
BeH Mult: 2 symmetry: 5
Be 0.0 0.0 0.0
H 0.0 0.0 1.3426
#+end_example
*** Be
#+begin_example
1
Be Mult: 1 symmetry: 4
Be 0.0 0.0 0.0
#+end_example
*** C2H2
#+begin_example
4
C2H2 Mult: 1 symmetry: 14
C 0.0 0.0 0.6013
C 0.0 0.0 -0.6013
H 0.0 0.0 1.6644
H 0.0 0.0 -1.6644
#+end_example
*** C2H4
#+begin_example
6
C2H4 Mult: 1 symmetry: 16
C 0.0 0.0 0.6695
C 0.0 0.0 -0.6695
H 0.0 0.9289 1.2321
H 0.0 -0.9289 1.2321
H 0.0 0.9289 -1.2321
H 0.0 -0.9289 -1.2321
#+end_example
*** C2H6
#+begin_example
8
C2H6 Mult: 1 symmetry: 18
C 0.0 0.0 0.768
C 0.0 0.0 -0.768
H -1.0192 0.0 1.1573
H 0.5096 0.8826 1.1573
H 0.5096 -0.8826 1.1573
H 1.0192 0.0 -1.1573
H -0.5096 -0.8826 -1.1573
H -0.5096 0.8826 -1.1573
#+end_example
*** CH2_1A1
#+begin_example
3
CH2_1A1 Mult: 1 symmetry: 8
C 0.0 0.0 0.1734
H 0.0 0.8623 -0.5202
H 0.0 -0.8623 -0.5202
#+end_example
*** CH2_3B1
#+begin_example
3
CH2_3B1 Mult: 3 symmetry: 8
C 0.0 0.0 0.1027
H 0.0 1.0042 -0.3081
H 0.0 -1.0042 -0.3081
#+end_example
*** CH3Cl
#+begin_example
5
CH3Cl Mult: 1 symmetry: 26
C 0.0 0.0 0.0
Cl 0.0 0.0 1.781
H 1.0424 0.0 -0.3901
H -0.5212 0.9027 -0.3901
H -0.5212 -0.9027 -0.3901
#+end_example
*** CH3
#+begin_example
4
CH3 Mult: 2 symmetry: 9
C 0.0 0.0 0.0
H 1.079 0.0 0.0
H -0.5395 -0.9344 0.0
H -0.5395 0.9344 0.0
#+end_example
*** CH4
#+begin_example
5
CH4 Mult: 1 symmetry: 10
C 0.0 0.0 0.0
H 0.6276 0.6276 0.6276
H 0.6276 -0.6276 -0.6276
H -0.6276 0.6276 -0.6276
H -0.6276 -0.6276 0.6276
#+end_example
*** CH
#+begin_example
2
CH Mult: 2 symmetry: 7
C 0.0 0.0 0.0
H 0.0 0.0 1.1199
#+end_example
*** Cl2
#+begin_example
2
Cl2 Mult: 1 symmetry: 34
Cl 0.0 0.0 0.0
Cl 0.0 0.0 1.9879
#+end_example
*** ClF
#+begin_example
2
ClF Mult: 1 symmetry: 26
Cl 0.0 0.0 1.6283
F 0.0 0.0 0.0
#+end_example
*** ClO
#+begin_example
2
ClO Mult: 2 symmetry: 25
Cl 0.0 0.0 1.5696
O 0.0 0.0 0.0
#+end_example
*** Cl
#+begin_example
1
Cl Mult: 2 symmetry: 17
Cl 0.0 0.0 0.0
#+end_example
*** CN
#+begin_example
2
CN Mult: 2 symmetry: 13
C 0.0 0.0 0.0
N 0.0 0.0 1.1718
#+end_example
*** CO2
#+begin_example
3
CO2 Mult: 1 symmetry: 22
C 0.0 0.0 0.0
O 0.0 0.0 1.1621
O 0.0 0.0 -1.1621
#+end_example
*** CO
#+begin_example
2
CO Mult: 1 symmetry: 14
C 0.0 0.0 0.0
O 0.0 0.0 1.1282
#+end_example
*** CS
#+begin_example
2
CS Mult: 1 symmetry: 22
C 0.0 0.0 0.0
S 0.0 0.0 1.5349
#+end_example
*** C
#+begin_example
1
C Mult: 3 symmetry: 6
C 0.0 0.0 0.0
#+end_example
*** F2
#+begin_example
2
F2 Mult: 1 symmetry: 18
F 0.0 0.0 0.0
F 0.0 0.0 1.4119
#+end_example
*** F
#+begin_example
1
F Mult: 2 symmetry: 9
F 0.0 0.0 0.0
#+end_example
*** H2CO
#+begin_example
4
H2CO Mult: 1 symmetry: 16
C 0.0 0.0 0.0
H 0.0 0.9429 -0.5876
H 0.0 -0.9429 -0.5876
O 0.0 0.0 1.205
#+end_example
*** H2O2
#+begin_example
4
H2O2 Mult: 1 symmetry: 18
H 0.819 0.817 0.422
H -0.819 -0.817 0.422
O 0.0 0.7375 -0.0528
O 0.0 -0.7375 -0.0528
#+end_example
*** H2O
#+begin_example
3
H2O Mult: 1 symmetry: 10
H 0.0 0.7572 -0.4692
H 0.0 -0.7572 -0.4692
O 0.0 0.0 0.1173
#+end_example
*** H2S
#+begin_example
3
H2S Mult: 1 symmetry: 18
H 0.0 0.9569 0.9208
H 0.0 -0.9569 0.9208
S 0.0 0.0 0.0
#+end_example
*** H3COH
#+begin_example
6
H3COH Mult: 1 symmetry: 18
C -0.0503 0.6685 0.0
H -1.0807 1.0417 0.0
H 0.465 1.0417 0.8924
H 0.465 1.0417 -0.8924
H 0.8544 -1.0677 0.0
O -0.0503 -0.7585 0.0
#+end_example
*** H3CSH
#+begin_example
6
H3CSH Mult: 1 symmetry: 26
C -0.85 -0.0344 -0.2
H 1.4219 0.5781 0.425
H -0.9406 0.8688 -0.8219
H -1.4219 -0.8688 -0.6469
H -1.2031 0.1656 0.8219
S 0.9 -0.5125 -0.1219
#+end_example
*** HCl
#+begin_example
2
HCl Mult: 1 symmetry: 18
Cl 0.0 0.0 0.0
H 0.0 0.0 1.2746
#+end_example
*** HCN
#+begin_example
3
HCN Mult: 1 symmetry: 14
C 0.0 0.0 0.0
H 0.0 0.0 1.064
N 0.0 0.0 -1.156
#+end_example
*** HCO
#+begin_example
3
HCO Mult: 2 symmetry: 15
C 0.0 0.0 0.0
H 1.08 0.0 0.0
O -0.5899 1.0427 0.0
#+end_example
*** HF
#+begin_example
2
HF Mult: 1 symmetry: 10
F 0.0 0.0 0.0
H 0.0 0.0 0.9168
#+end_example
*** HOCl
#+begin_example
3
HOCl Mult: 1 symmetry: 26
Cl 0.0362 -0.5927 0.0
H -0.9048 1.3042 0.0
O 0.0362 1.0964 0.0
#+end_example
*** H
#+begin_example
1
H Mult: 2 symmetry: 1
H 0.0 0.0 0.0
#+end_example
*** Li2
#+begin_example
2
Li2 Mult: 1 symmetry: 6
Li 0.0 0.0 0.0
Li 0.0 0.0 2.673
#+end_example
*** LiF
#+begin_example
2
LiF Mult: 1 symmetry: 12
F 0.0 0.0 0.0
Li 0.0 0.0 1.5639
#+end_example
*** LiH
#+begin_example
2
LiH Mult: 1 symmetry: 4
H 0.0 0.0 1.5949
Li 0.0 0.0 0.0
#+end_example
*** Li
#+begin_example
1
Li Mult: 2 symmetry: 3
Li 0.0 0.0 0.0
#+end_example
*** N2H4
#+begin_example
6
N2H4 Mult: 1 symmetry: 18
H -0.447 1.0031 0.7562
H 0.447 -1.0031 0.7562
H 0.9663 1.0031 0.0301
H -0.9663 -1.0031 0.0301
N 0.0 0.723 -0.1123
N 0.0 -0.723 -0.1123
#+end_example
*** N2
#+begin_example
2
N2 Mult: 1 symmetry: 14
N 0.0 0.0 0.5488
N 0.0 0.0 -0.5488
#+end_example
*** Na2
#+begin_example
2
Na2 Mult: 1 symmetry: 22
Na 0.0 0.0 0.0
Na 0.0 0.0 3.0789
#+end_example
*** NaCl
#+begin_example
2
NaCl Mult: 1 symmetry: 28
Cl 0.0 0.0 2.3608
Na 0.0 0.0 0.0
#+end_example
*** Na
#+begin_example
1
Na Mult: 2 symmetry: 11
Na 0.0 0.0 0.0
#+end_example
*** NH2
#+begin_example
3
NH2 Mult: 2 symmetry: 9
H 0.0 0.8036 0.6347
H 0.0 -0.8036 0.6347
N 0.0 0.0 0.0
#+end_example
*** NH3
#+begin_example
4
NH3 Mult: 1 symmetry: 10
H 0.0 -0.9377 -0.3816
H 0.8121 0.4689 -0.3816
H -0.8121 0.4689 -0.3816
N 0.0 0.0 0.0
#+end_example
*** NH
#+begin_example
2
NH Mult: 3 symmetry: 8
H 0.0 0.0 1.0362
N 0.0 0.0 0.0
#+end_example
*** NO
#+begin_example
2
NO Mult: 2 symmetry: 15
N 0.0 0.0 1.1508
O 0.0 0.0 0.0
#+end_example
*** N
#+begin_example
1
N Mult: 4 symmetry: 7
N 0.0 0.0 0.0
#+end_example
*** O2
#+begin_example
2
O2 Mult: 3 symmetry: 16
O 0.0 0.0 0.0
O 0.0 0.0 1.2075
#+end_example
*** OH
#+begin_example
2
OH Mult: 2 symmetry: 9
H 0.0 0.0 0.9697
O 0.0 0.0 0.0
#+end_example
*** O
#+begin_example
1
O Mult: 3 symmetry: 8
O 0.0 0.0 0.0
#+end_example
*** P2
#+begin_example
2
P2 Mult: 1 symmetry: 30
P 0.0 0.0 0.0
P 0.0 0.0 1.8934
#+end_example
*** PH2
#+begin_example
3
PH2 Mult: 2 symmetry: 17
H 0.0 1.0229 0.9964
H 0.0 -1.0229 0.9964
P 0.0 0.0 0.0
#+end_example
*** PH3
#+begin_example
4
PH3 Mult: 1 symmetry: 18
H 0.0 -1.1932 -0.7717
H 1.0333 0.5966 -0.7717
H -1.0333 0.5966 -0.7717
P 0.0 0.0 0.0
#+end_example
*** P
#+begin_example
1
P Mult: 4
P 0.0 0.0 0.0
#+end_example
*** S2
#+begin_example
2
S2 Mult: 3
S 0.0 0.0 0.0
S 0.0 0.0 1.8892
#+end_example
*** Si2H6
#+begin_example
8
Si2H6 Mult: 1
H 0.0 1.3865 1.6483
H -1.2008 -0.6933 1.6483
H 1.2008 -0.6933 1.6483
H 0.0 -1.3865 -1.6483
H -1.2008 0.6933 -1.6483
H 1.2008 0.6933 -1.6483
Si 0.0 0.0 1.16
Si 0.0 0.0 -1.16
#+end_example
*** Si2
#+begin_example
2
Si2 Mult: 3
Si 0.0 0.0 0.0
Si 0.0 0.0 2.246
#+end_example
*** SiH2_1A1
#+begin_example
3
SiH2_1A1 Mult: 1
H 0.0 0.0 -1.5141
H 0.0 1.5132 0.0528
Si 0.0 0.0 0.0
#+end_example
*** SiH2_3B1
#+begin_example
3
SiH2_3B1 Mult: 3
H 0.0 1.273174 -0.665412
H 0.0 -1.273174 -0.665412
Si 0.0 0.0 0.095059
#+end_example
*** SiH3
#+begin_example
4
SiH3 Mult: 2
H 0.0 1.3928 -0.382
H 1.2062 -0.6964 -0.382
H -1.2062 -0.6964 -0.382
Si 0.0 0.0 0.0819
#+end_example
*** SiH4
#+begin_example
5
SiH4 Mult: 1
H 0.8544 0.8544 0.8544
H -0.8544 -0.8544 0.8544
H -0.8544 0.8544 -0.8544
H 0.8544 -0.8544 -0.8544
Si 0.0 0.0 0.0
#+end_example
*** SiO
#+begin_example
2
SiO Mult: 1
O 0.0 0.0 1.5097
Si 0.0 0.0 0.0
#+end_example
*** Si
#+begin_example
1
Si Mult: 3
Si 0.0 0.0 0.0
#+end_example
*** SO2
#+begin_example
3
SO2 Mult: 1
O 0.0 1.2371 0.7215
O 0.0 -1.2371 0.7215
S 0.0 0.0 0.0
#+end_example
*** SO
#+begin_example
2
SO Mult: 3
O 0.0 0.0 1.4811
S 0.0 0.0 0.0
#+end_example
*** S
#+begin_example
1
S Mult: 3
S 0.0 0.0 0.0
#+end_example
#+begin_src shell :results output
for i in ~/G2/XYZ/*.xyz
do
printf "*** $(basename $i)\n#+begin_example\n$(cat $i)\n#+end_example\n\n"
done
#+end_src
** Basis sets
Taken from http://www.burkatzki.com/pseudos/index.2.html
*** VDZ-BFD
**** H
#+begin_example
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.170483 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
#+end_example
**** Li
#+begin_example
LITHIUM
S 9
1 0.010125 0.007841
2 0.023437 0.258118
3 0.054251 0.423307
4 0.125581 0.167825
5 0.290697 -0.068332
6 0.672909 -0.119269
7 1.557659 0.007736
8 3.605689 0.003630
9 8.346494 -0.000646
S 1
1 0.103721 1.000000
P 9
1 0.018300 -0.005906
2 0.031699 -0.031422
3 0.054908 -0.043628
4 0.095111 -0.016781
5 0.164751 -0.078594
6 0.285379 0.015562
7 0.494330 -0.030830
8 0.856273 0.006185
9 1.483225 -0.008621
P 1
1 0.070391 1.000000
D 1
1 0.110720 1.000000
#+end_example
**** Be
#+begin_example
BERYLLIUM
S 9
1 0.030068 0.025105
2 0.054002 0.178890
3 0.096986 0.263939
4 0.174186 0.435946
5 0.312836 -0.008188
6 0.561850 0.049509
7 1.009077 -0.114576
8 1.812290 -0.067207
9 3.254852 0.017250
S 1
1 0.239392 1.000000
P 9
1 0.015064 0.735052
2 0.028584 -0.476214
3 0.054236 0.564806
4 0.102911 -0.108575
5 0.195269 0.233862
6 0.370513 -0.009003
7 0.703030 0.067510
8 1.333967 -0.002868
9 2.531139 0.017869
P 1
1 0.222969 1.000000
D 1
1 0.217340 1.000000
#+end_example
**** C
#+begin_example
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.127852 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.149161 1.000000
D 1
1 0.561160 1.000000
#+end_example
**** N
#+begin_example
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 0.175123 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.223042 1.000000
D 1
1 0.832058 1.000000
#+end_example
**** O
#+begin_example
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 0.258551 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.267865 1.000000
D 1
1 1.232753 1.000000
#+end_example
**** F
#+begin_example
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 0.344569 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.364831 1.000000
D 1
1 1.722479 1.000000
#+end_example
**** Na
#+begin_example
SODIUM
S 9
1 0.013061 0.200118
2 0.030041 0.467652
3 0.069092 0.227738
4 0.158908 -0.061581
5 0.365481 -0.137533
6 0.840589 0.003323
7 1.933315 0.003741
8 4.446533 -0.001117
9 10.226816 0.000244
S 1
1 0.865135 1.000000
P 9
1 0.002593 -0.002840
2 0.006741 0.005340
3 0.017525 -0.025936
4 0.045563 -0.053466
5 0.118461 -0.053691
6 0.307987 0.014439
7 0.800738 0.006199
8 2.081847 -0.001026
9 5.412617 0.000168
P 1
1 0.106025 1.000000
D 1
1 0.050790 1.000000
#+end_example
**** Si
#+begin_example
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.059803 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.081570 1.000000
D 1
1 0.283626 1.000000
#+end_example
**** P
#+begin_example
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.077260 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.113433 1.000000
D 1
1 0.390944 1.000000
#+end_example
**** S
#+begin_example
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.098454 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.128926 1.000000
D 1
1 0.514135 1.000000
#+end_example
**** Cl
#+begin_example
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.120667 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.168333 1.000000
D 1
1 0.651071 1.000000
#+end_example
*** VTZ-BFD
**** H
#+begin_example
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.170654 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
P 1
1 0.495357 1.000000
D 1
1 0.955745 1.000000
#+end_example
**** Li
#+begin_example
LITHIUM
S 9
1 0.010125 0.007841
2 0.023437 0.258118
3 0.054251 0.423307
4 0.125581 0.167825
5 0.290697 -0.068332
6 0.672909 -0.119269
7 1.557659 0.007736
8 3.605689 0.003630
9 8.346494 -0.000646
S 1
1 0.026170 1.000000
S 1
1 0.132259 1.000000
P 9
1 0.018300 -0.005906
2 0.031699 -0.031422
3 0.054908 -0.043628
4 0.095111 -0.016781
5 0.164751 -0.078594
6 0.285379 0.015562
7 0.494330 -0.030830
8 0.856273 0.006185
9 1.483225 -0.008621
P 1
1 0.052959 1.000000
P 1
1 0.110075 1.000000
D 1
1 0.067795 1.000000
D 1
1 0.177140 1.000000
F 1
1 0.180758 1.000000
#+end_example
**** Be
#+begin_example
BERYLLIUM
S 9
1 0.030068 0.025105
2 0.054002 0.178890
3 0.096986 0.263939
4 0.174186 0.435946
5 0.312836 -0.008188
6 0.561850 0.049509
7 1.009077 -0.114576
8 1.812290 -0.067207
9 3.254852 0.017250
S 1
1 0.060913 1.000000
S 1
1 0.357735 1.000000
P 9
1 0.015064 0.735052
2 0.028584 -0.476214
3 0.054236 0.564806
4 0.102911 -0.108575
5 0.195269 0.233862
6 0.370513 -0.009003
7 0.703030 0.067510
8 1.333967 -0.002868
9 2.531139 0.017869
P 1
1 0.728274 1.000000
P 1
1 0.165173 1.000000
D 1
1 0.113241 1.000000
D 1
1 0.305198 1.000000
F 1
1 0.272841 1.000000
#+end_example
**** C
#+begin_example
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.921552 1.000000
S 1
1 0.132800 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.126772 1.000000
P 1
1 0.376742 1.000000
D 1
1 0.329486 1.000000
D 1
1 1.141611 1.000000
F 1
1 0.773485 1.000000
#+end_example
**** N
#+begin_example
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 1.202183 1.000000
S 1
1 0.163243 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.170104 1.000000
P 1
1 0.517547 1.000000
D 1
1 0.483567 1.000000
D 1
1 1.712416 1.000000
F 1
1 1.093097 1.000000
#+end_example
**** O
#+begin_example
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 1.686633 1.000000
S 1
1 0.237997 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.184696 1.000000
P 1
1 0.600621 1.000000
D 1
1 0.669340 1.000000
D 1
1 2.404278 1.000000
F 1
1 1.423104 1.000000
#+end_example
**** F
#+begin_example
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 2.289795 1.000000
S 1
1 0.327712 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.243660 1.000000
P 1
1 0.804181 1.000000
D 1
1 0.900763 1.000000
D 1
1 3.297425 1.000000
F 1
1 1.859274 1.000000
#+end_example
**** Na
#+begin_example
SODIUM
S 9
1 0.013061 0.200118
2 0.030041 0.467652
3 0.069092 0.227738
4 0.158908 -0.061581
5 0.365481 -0.137533
6 0.840589 0.003323
7 1.933315 0.003741
8 4.446533 -0.001117
9 10.226816 0.000244
S 1
1 0.067854 1.000000
S 1
1 0.550451 1.000000
P 9
1 0.002593 -0.002840
2 0.006741 0.005340
3 0.017525 -0.025936
4 0.045563 -0.053466
5 0.118461 -0.053691
6 0.307987 0.014439
7 0.800738 0.006199
8 2.081847 -0.001026
9 5.412617 0.000168
P 1
1 0.089406 1.000000
P 1
1 0.619273 1.000000
D 1
1 0.086920 1.000000
D 1
1 0.693014 1.000000
F 1
1 0.132402 1.000000
#+end_example
**** Si
#+begin_example
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.090113 1.000000
S 1
1 0.507467 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.056148 1.000000
P 1
1 0.146758 1.000000
D 1
1 0.170395 1.000000
D 1
1 0.539756 1.000000
F 1
1 0.352999 1.000000
#+end_example
**** P
#+begin_example
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.115288 1.000000
S 1
1 0.646066 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.076568 1.000000
P 1
1 0.200301 1.000000
D 1
1 0.234543 1.000000
D 1
1 0.753299 1.000000
F 1
1 0.468762 1.000000
#+end_example
**** S
#+begin_example
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.146642 1.000000
S 1
1 0.792025 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.088694 1.000000
P 1
1 0.247967 1.000000
D 1
1 0.292889 1.000000
D 1
1 0.950659 1.000000
F 1
1 0.573218 1.000000
#+end_example
**** Cl
#+begin_example
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.185613 1.000000
S 1
1 0.991560 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.112268 1.000000
P 1
1 0.309583 1.000000
D 1
1 0.352357 1.000000
D 1
1 1.128796 1.000000
F 1
1 0.731999 1.000000
#+end_example
*** VQZ-BFD
**** H
#+begin_example
HYDROGEN
S 9
1 0.013000 0.000706
2 0.029900 -0.002119
3 0.068770 0.057693
4 0.158170 0.230695
5 0.363792 0.277612
6 0.836721 0.169833
7 1.924458 0.097443
8 4.426254 0.029966
9 10.180385 -0.000452
S 1
1 0.120599 1.000000
S 1
1 0.404783 1.000000
S 1
1 0.715129 1.000000
P 9
1 0.003000 0.001242
2 0.007800 -0.000913
3 0.020281 -0.000054
4 0.052730 -0.000238
5 0.137097 -0.011530
6 0.356451 -0.018235
7 0.926774 -0.013929
8 2.409612 -0.009395
9 6.264991 -0.000347
P 1
1 0.774536 1.000000
P 1
1 0.263038 1.000000
D 1
1 2.315883 1.000000
D 1
1 0.636656 1.000000
F 1
1 1.130819 1.000000
#+end_example
**** Li
#+begin_example
LITHIUM
S 9
1 0.010125 0.007841
2 0.023437 0.258118
3 0.054251 0.423307
4 0.125581 0.167825
5 0.290697 -0.068332
6 0.672909 -0.119269
7 1.557659 0.007736
8 3.605689 0.003630
9 8.346494 -0.000646
S 1
1 0.024834 1.000000
S 1
1 0.109770 1.000000
S 1
1 0.519693 1.000000
P 9
1 0.018300 -0.005906
2 0.031699 -0.031422
3 0.054908 -0.043628
4 0.095111 -0.016781
5 0.164751 -0.078594
6 0.285379 0.015562
7 0.494330 -0.030830
8 0.856273 0.006185
9 1.483225 -0.008621
P 1
1 0.070662 1.000000
P 1
1 0.115823 1.000000
P 1
1 0.207505 1.000000
D 1
1 0.029817 1.000000
D 1
1 0.089353 1.000000
D 1
1 0.214990 1.000000
F 1
1 0.099930 1.000000
F 1
1 0.240323 1.000000
G 1
1 0.199570 1.000000
#+end_example
**** Be
#+begin_example
BERYLLIUM
S 9
1 0.030068 0.025105
2 0.054002 0.178890
3 0.096986 0.263939
4 0.174186 0.435946
5 0.312836 -0.008188
6 0.561850 0.049509
7 1.009077 -0.114576
8 1.812290 -0.067207
9 3.254852 0.017250
S 1
1 0.012287 1.000000
S 1
1 0.175341 1.000000
S 1
1 1.244398 1.000000
P 9
1 0.015064 0.735052
2 0.028584 -0.476214
3 0.054236 0.564806
4 0.102911 -0.108575
5 0.195269 0.233862
6 0.370513 -0.009003
7 0.703030 0.067510
8 1.333967 -0.002868
9 2.531139 0.017869
P 1
1 0.317061 1.000000
P 1
1 1.585739 1.000000
P 1
1 0.108346 1.000000
D 1
1 0.125228 1.000000
D 1
1 0.801065 1.000000
D 1
1 0.301656 1.000000
F 1
1 0.153439 1.000000
F 1
1 0.377536 1.000000
G 1
1 0.338801 1.000000
#+end_example
**** C
#+begin_example
CARBON
S 9
1 0.051344 0.013991
2 0.102619 0.169852
3 0.205100 0.397529
4 0.409924 0.380369
5 0.819297 0.180113
6 1.637494 -0.033512
7 3.272791 -0.121499
8 6.541187 0.015176
9 13.073594 -0.000705
S 1
1 0.109576 1.000000
S 1
1 0.846879 1.000000
S 1
1 0.269659 1.000000
P 9
1 0.029281 0.001787
2 0.058547 0.050426
3 0.117063 0.191634
4 0.234064 0.302667
5 0.468003 0.289868
6 0.935757 0.210979
7 1.871016 0.112024
8 3.741035 0.054425
9 7.480076 0.021931
P 1
1 0.105389 1.000000
P 1
1 0.313254 1.000000
P 1
1 0.804681 1.000000
D 1
1 0.240171 1.000000
D 1
1 0.684884 1.000000
D 1
1 2.013760 1.000000
F 1
1 0.457302 1.000000
F 1
1 1.324930 1.000000
G 1
1 1.034180 1.000000
#+end_example
**** N
#+begin_example
NITROGEN
S 9
1 0.098869 0.067266
2 0.211443 0.334290
3 0.452197 0.454257
4 0.967080 0.267861
5 2.068221 0.000248
6 4.423150 -0.132606
7 9.459462 0.014437
8 20.230246 0.000359
9 43.264919 -0.000094
S 1
1 0.135764 1.000000
S 1
1 0.310826 1.000000
S 1
1 1.625001 1.000000
P 9
1 0.073234 0.035758
2 0.145867 0.153945
3 0.290535 0.277656
4 0.578683 0.297676
5 1.152612 0.234403
6 2.295756 0.140321
7 4.572652 0.067219
8 9.107739 0.031594
9 18.140657 0.003301
P 1
1 0.140736 1.000000
P 1
1 0.413103 1.000000
P 1
1 1.020750 1.000000
D 1
1 0.346233 1.000000
D 1
1 1.009895 1.000000
D 1
1 3.028459 1.000000
F 1
1 0.691129 1.000000
F 1
1 2.024747 1.000000
G 1
1 1.357512 1.000000
#+end_example
**** O
#+begin_example
OXYGEN
S 9
1 0.125346 0.055741
2 0.268022 0.304848
3 0.573098 0.453752
4 1.225429 0.295926
5 2.620277 0.019567
6 5.602818 -0.128627
7 11.980245 0.012024
8 25.616801 0.000407
9 54.775216 -0.000076
S 1
1 0.224380 1.000000
S 1
1 0.843157 1.000000
S 1
1 1.351771 1.000000
P 9
1 0.083598 0.044958
2 0.167017 0.150175
3 0.333673 0.255999
4 0.666627 0.281879
5 1.331816 0.242835
6 2.660761 0.161134
7 5.315785 0.082308
8 10.620108 0.039899
9 21.217318 0.004679
P 1
1 0.148562 1.000000
P 1
1 0.452364 1.000000
P 1
1 1.106737 1.000000
D 1
1 0.455711 1.000000
D 1
1 1.344331 1.000000
D 1
1 4.008867 1.000000
F 1
1 0.876289 1.000000
F 1
1 2.763115 1.000000
G 1
1 1.759081 1.000000
#+end_example
**** F
#+begin_example
FLUORINE
S 9
1 0.172723 0.070240
2 0.364875 0.311088
3 0.770795 0.444675
4 1.628295 0.287011
5 3.439757 0.018759
6 7.266451 -0.128608
7 15.350300 0.009104
8 32.427348 0.000810
9 68.502433 -0.000133
S 1
1 0.294345 1.000000
S 1
1 1.048013 1.000000
S 1
1 1.705653 1.000000
P 9
1 0.101001 0.035321
2 0.204414 0.136924
3 0.413707 0.249353
4 0.837289 0.286620
5 1.694565 0.254541
6 3.429580 0.169572
7 6.941026 0.088542
8 14.047737 0.039843
9 28.430799 0.003378
P 1
1 0.205806 1.000000
P 1
1 0.647240 1.000000
P 1
1 1.650688 1.000000
D 1
1 0.587354 1.000000
D 1
1 1.724392 1.000000
D 1
1 4.998085 1.000000
F 1
1 1.178147 1.000000
F 1
1 3.694285 1.000000
G 1
1 2.406583 1.000000
#+end_example
**** Na
#+begin_example
SODIUM
S 9
1 0.013061 0.200118
2 0.030041 0.467652
3 0.069092 0.227738
4 0.158908 -0.061581
5 0.365481 -0.137533
6 0.840589 0.003323
7 1.933315 0.003741
8 4.446533 -0.001117
9 10.226816 0.000244
S 1
1 0.064915 1.000000
S 1
1 1.134458 1.000000
S 1
1 0.771046 1.000000
P 9
1 0.002593 -0.002840
2 0.006741 0.005340
3 0.017525 -0.025936
4 0.045563 -0.053466
5 0.118461 -0.053691
6 0.307987 0.014439
7 0.800738 0.006199
8 2.081847 -0.001026
9 5.412617 0.000168
P 1
1 0.059662 1.000000
P 1
1 0.096714 1.000000
P 1
1 0.552976 1.000000
D 1
1 0.046917 1.000000
D 1
1 0.813868 1.000000
D 1
1 0.127780 1.000000
F 1
1 0.129992 1.000000
F 1
1 0.626429 1.000000
G 1
1 0.588778 1.000000
#+end_example
**** Si
#+begin_example
SILICON
S 9
1 0.059887 0.167492
2 0.130108 0.532550
3 0.282668 0.464290
4 0.614115 -0.002322
5 1.334205 -0.268234
6 2.898645 0.031921
7 6.297493 -0.000106
8 13.681707 -0.000145
9 29.724387 0.000067
S 1
1 0.079900 1.000000
S 1
1 0.206024 1.000000
S 1
1 0.435017 1.000000
P 9
1 0.036525 0.078761
2 0.076137 0.308331
3 0.158712 0.417773
4 0.330843 0.281676
5 0.689658 0.069876
6 1.437625 -0.056306
7 2.996797 0.000744
8 6.246966 -0.000259
9 13.022097 -0.000022
P 1
1 0.054575 1.000000
P 1
1 0.599112 1.000000
P 1
1 0.134681 1.000000
D 1
1 0.133118 1.000000
D 1
1 0.350967 1.000000
D 1
1 1.063961 1.000000
F 1
1 0.211319 1.000000
F 1
1 0.535932 1.000000
G 1
1 0.465365 1.000000
#+end_example
**** P
#+begin_example
PHOSPHORUS
S 9
1 0.074718 0.140225
2 0.160834 0.506746
3 0.346202 0.499893
4 0.745215 0.037301
5 1.604109 -0.284591
6 3.452917 0.024766
7 7.432561 0.001798
8 15.998924 -0.000314
9 34.438408 0.000088
S 1
1 0.098851 1.000000
S 1
1 0.255593 1.000000
S 1
1 0.546057 1.000000
P 9
1 0.050242 0.072095
2 0.102391 0.278735
3 0.208669 0.411034
4 0.425256 0.304724
5 0.866651 0.091727
6 1.766191 -0.057060
7 3.599410 -0.005103
8 7.335418 0.000328
9 14.949217 -0.000046
P 1
1 0.074522 1.000000
P 1
1 0.764539 1.000000
P 1
1 0.182211 1.000000
D 1
1 0.186505 1.000000
D 1
1 0.502400 1.000000
D 1
1 1.576445 1.000000
F 1
1 0.280702 1.000000
F 1
1 0.719161 1.000000
G 1
1 0.599144 1.000000
#+end_example
**** S
#+begin_example
SULFUR
S 9
1 0.095120 0.140074
2 0.202385 0.490942
3 0.430611 0.515297
4 0.916203 0.050320
5 1.949388 -0.298908
6 4.147674 0.019827
7 8.824926 0.007266
8 18.776623 -0.001602
9 39.950656 0.000271
S 1
1 0.123759 1.000000
S 1
1 0.315587 1.000000
S 1
1 0.651905 1.000000
P 9
1 0.057087 0.081938
2 0.115901 0.251826
3 0.235305 0.376344
4 0.477723 0.320902
5 0.969889 0.143779
6 1.969099 -0.045543
7 3.997726 -0.017191
8 8.116307 0.002580
9 16.477979 -0.000222
P 1
1 0.078717 1.000000
P 1
1 0.202707 1.000000
P 1
1 0.301333 1.000000
D 1
1 0.215701 1.000000
D 1
1 0.560638 1.000000
D 1
1 1.588204 1.000000
F 1
1 0.356554 1.000000
F 1
1 0.961826 1.000000
G 1
1 0.694803 1.000000
#+end_example
**** Cl
#+begin_example
CHLORINE
S 9
1 0.119944 0.148917
2 0.257348 0.503616
3 0.552157 0.523995
4 1.184691 0.013612
5 2.541836 -0.328846
6 5.453681 0.056309
7 11.701243 -0.001301
8 25.105812 -0.000294
9 53.866226 0.000076
S 1
1 0.161594 1.000000
S 1
1 0.440111 1.000000
S 1
1 0.848928 1.000000
P 9
1 0.074374 0.084925
2 0.155084 0.270658
3 0.323378 0.396022
4 0.674303 0.324325
5 1.406043 0.100661
6 2.931855 -0.069802
7 6.113450 -0.000951
8 12.747651 0.001501
9 26.581165 -0.000249
P 1
1 0.111309 1.000000
P 1
1 1.286881 1.000000
P 1
1 0.289403 1.000000
D 1
1 0.253063 1.000000
D 1
1 0.642589 1.000000
D 1
1 1.654717 1.000000
F 1
1 0.448175 1.000000
F 1
1 1.189807 1.000000
G 1
1 0.848307 1.000000
#+end_example
** Pseudopotentials
Taken from http://www.burkatzki.com/pseudos/index.2.html
*** H
#+begin_example
H GEN 0 0
3
1.00000000 1 4.47692410
4.47692410 3 2.97636451
-4.32112340 2 3.01841596
#+end_example
*** Li
#+begin_example
Li GEN 2 1
3
1.00000000 1 5.41040609
5.41040609 3 2.70520138
-4.60151975 2 2.07005488
1
7.09172172 2 1.34319829
#+end_example
*** Be
#+begin_example
Be GEN 2 1
3
2.00000000 1 4.58686001
9.17372003 3 2.29371778
-8.12599146 2 2.10401964
1
14.90499810 2 2.71723988
#+end_example
*** C
#+begin_example
C GEN 2 1
3
4.00000000 1 8.35973821
33.43895285 3 4.48361888
-19.17537323 2 3.93831258
1
22.55164191 2 5.02991637
#+end_example
*** N
#+begin_example
N GEN 2 1
3
5.00000000 1 9.23501007
46.17505034 3 7.66830008
-30.18893534 2 7.34486070
1
31.69720409 2 6.99536540
#+end_example
*** O
#+begin_example
O GEN 2 1
3
6.00000000 1 9.29793903
55.78763416 3 8.86492204
-38.81978498 2 8.62925665
1
38.41914135 2 8.71924452
#+end_example
*** F
#+begin_example
F GEN 2 1
3
7.00000000 1 11.39210685
79.74474797 3 10.74911370
-49.45159098 2 10.45120693
1
50.25646328 2 11.30345826
#+end_example
*** Na
#+begin_example
Na GEN 10 2
3
1.00000000 1 5.35838717
5.35838717 3 3.67918975
-2.07764789 2 1.60507673
1
10.69640234 2 1.32389367
1
10.11238853 2 1.14052020
#+end_example
*** Si
#+begin_example
Si GEN 10 2
3
4.00000000 1 1.80721061
7.22884246 3 9.99633089
-13.06725590 2 2.50043232
1
21.20531613 2 2.26686403
1
15.43693603 2 2.11659661
#+end_example
*** P
#+begin_example
P GEN 10 2
3
5.00000000 1 2.02622810
10.13114051 3 9.95970113
-14.94375088 2 2.74841795
1
23.62479480 2 2.60470698
1
18.18547203 2 2.54957900
#+end_example
*** S
#+begin_example
S GEN 10 2
3
6.00000000 1 2.42178462
14.53070769 3 6.74148698
-17.52965289 2 3.06094751
1
25.99260928 2 2.94272173
1
18.93356489 2 2.84566981
#+end_example
*** Cl
#+begin_example
Cl GEN 10 2
3
7.00000000 1 2.41079533
16.87556731 3 5.29139158
-18.80917558 2 2.91105513
1
28.59107316 2 3.34528827
1
19.37583724 2 3.12408551
#+end_example
** Python functions to compute MAE, MSE and RMSE
#+NAME: madformula
#+BEGIN_SRC python :var data=[1.] :exports none
n = len(data)
result = sum([abs(x) for x in data])/n
print(result)
return result
#+END_SRC
#+NAME: maderrformula
#+BEGIN_SRC python :var data=[1.] :exports none
from math import sqrt
n = len(data)
result = sqrt(sum([(x*x) for x in data])/n)
print(result)
return result
#+END_SRC
#+NAME: mudformula
#+BEGIN_SRC python :var data=[1.] :exports none
n = len(data)
result = sum(data)/n
print(result)
return result
#+END_SRC
#+RESULTS: mudformula
: 1.0
#+NAME: sdformula
#+BEGIN_SRC python :var data=[1.] :exports none
from math import sqrt
n = len(data)
average = sum(data)/n
if n >1 : n = n-1
variance = sum([(x - average)*(x - average) for x in data])/n
result = sqrt(variance)
print(result)
return result
#+END_SRC
#+RESULTS: sdformula
: 0.0
#+NAME: sderrformula
#+BEGIN_SRC python :var data=[1.] :var data_err=[0.1] :exports none
from math import sqrt
n = len(data)
average = sum(data)/n
if n >1 : n = n-1
variance_up = sum([(x+y - average)*(x+y - average) for (x,y) in zip(data,data_err)])/n
variance_dn = sum([(x-y - average)*(x-y - average) for (x,y) in zip(data,data_err)])/n
result = abs(sqrt(variance_up) - sqrt(variance_dn))
print(result)
return result
#+END_SRC
#+RESULTS: sderrformula
: 1.1102230246251565e-16
** VDZ-BFD
*** CCSD(T)
#+NAME: dz-ccsdt
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -1.000525 | | | |
| C | -5.409242 | | | |
| Cl | -14.874294 | | | |
| F | -24.092526 | | | |
| H | -0.499045 | | | |
| Li | -0.195611 | | | |
| N | -9.760315 | | | |
| Na | -0.174227 | | | |
| O | -15.829829 | | | |
| P | -6.441709 | | | |
| S | -10.063896 | | | |
| Si | -3.747375 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.553504 | 0.053934 | 0.079400 | -15.979980 |
| C2H2 | -12.404798 | 0.588225 | 0.642400 | -33.995396 |
| C2H4 | -13.652947 | 0.838283 | 0.899000 | -38.100407 |
| C2H6 | -14.882446 | 1.069692 | 1.136900 | -42.173979 |
| CH | -6.030335 | 0.122048 | 0.133900 | -7.437258 |
| CH2_1A1 | -6.673470 | 0.266138 | 0.288900 | -14.283148 |
| CH2_3B1 | -6.693049 | 0.285717 | 0.304100 | -11.535254 |
| CH3 | -7.368024 | 0.461647 | 0.490800 | -18.293738 |
| CH3Cl | -22.364720 | 0.584048 | 0.631000 | -29.462716 |
| CH4 | -8.039741 | 0.634319 | 0.670300 | -22.578590 |
| CN | -15.416198 | 0.246642 | 0.288800 | -26.454701 |
| CO | -21.619072 | 0.380002 | 0.413700 | -21.146121 |
| CO2 | -37.626356 | 0.557457 | 0.621400 | -40.124644 |
| CS | -15.713978 | 0.240840 | 0.274000 | -20.808005 |
| Cl2 | -29.811893 | 0.063305 | 0.094000 | -19.261488 |
| ClF | -39.032802 | 0.065982 | 0.100100 | -21.409434 |
| ClO | -30.768878 | 0.064755 | 0.104700 | -25.065634 |
| F2 | -48.218609 | 0.033557 | 0.062200 | -17.973728 |
| H2CO | -22.786343 | 0.549183 | 0.596700 | -29.817652 |
| H2O | -17.163976 | 0.336057 | 0.371900 | -22.492118 |
| H2O2 | -33.026612 | 0.368864 | 0.429400 | -37.986866 |
| H2S | -11.327615 | 0.265628 | 0.292000 | -16.548623 |
| H3COH | -23.990033 | 0.754781 | 0.818700 | -40.109587 |
| H3CSH | -18.166535 | 0.697217 | 0.757000 | -37.514699 |
| HCN | -16.115311 | 0.446710 | 0.496900 | -31.494849 |
| HCO | -22.141199 | 0.403084 | 0.444700 | -26.114492 |
| HCl | -15.530195 | 0.156855 | 0.171000 | -8.875933 |
| HF | -24.793702 | 0.202131 | 0.226100 | -15.040593 |
| HOCl | -31.422422 | 0.219254 | 0.264700 | -28.517956 |
| Li2 | -0.429057 | 0.037834 | 0.038900 | -0.668695 |
| LiF | -24.482639 | 0.194502 | 0.222000 | -17.255080 |
| LiH | -0.779499 | 0.084842 | 0.092430 | -4.761288 |
| N2 | -19.833528 | 0.312898 | 0.364600 | -32.443585 |
| N2H4 | -22.127370 | 0.610560 | 0.699600 | -55.873786 |
| NH | -10.374527 | 0.115167 | 0.133500 | -11.504213 |
| NH2 | -11.016404 | 0.257998 | 0.290400 | -20.332426 |
| NH3 | -11.685797 | 0.428347 | 0.475500 | -29.589211 |
| NO | -25.791744 | 0.201600 | 0.244500 | -26.919908 |
| Na2 | -0.381541 | 0.033088 | 0.026800 | 3.945542 |
| NaCl | -15.184335 | 0.135814 | 0.157400 | -13.545436 |
| O2 | -31.814603 | 0.154945 | 0.192400 | -23.503111 |
| OH | -16.480633 | 0.151759 | 0.170200 | -11.571802 |
| P2 | -13.021089 | 0.137672 | 0.186000 | -30.326571 |
| PH2 | -7.657150 | 0.217351 | 0.244000 | -16.722476 |
| PH3 | -8.285253 | 0.346409 | 0.389000 | -26.726509 |
| S2 | -20.254169 | 0.126376 | 0.164000 | -23.609301 |
| SO | -26.046383 | 0.152658 | 0.200700 | -30.147059 |
| SO2 | -42.025286 | 0.301732 | 0.414400 | -70.700256 |
| Si2 | -7.590140 | 0.095390 | 0.121000 | -16.070463 |
| Si2H6 | -11.269121 | 0.780099 | 0.849000 | -43.236122 |
| SiH2_1A1 | -4.967724 | 0.222259 | 0.243000 | -13.015374 |
| SiH2_3B1 | -4.938176 | 0.192711 | 0.210000 | -10.849330 |
| SiH3 | -5.577455 | 0.332944 | 0.363000 | -18.860405 |
| SiH4 | -6.222332 | 0.478776 | 0.515000 | -22.730902 |
| SiO | -19.836053 | 0.258849 | 0.306700 | -30.026860 |
|---------+------------+----------+----------+------------|
| | | 24.10 | -23.96 | 13.03 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** DFT
**** PBE
#+NAME: dz-pbe
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.993247 | | | |
| C | -5.417931 | | | |
| Cl | -14.942111 | | | |
| F | -24.188803 | | | |
| H | -0.497466 | | | |
| Li | -0.200657 | | | |
| N | -9.785099 | | | |
| Na | -0.179448 | | | |
| O | -15.896735 | | | |
| P | -6.463474 | | | |
| S | -10.111396 | | | |
| Si | -3.764725 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.561314 | 0.070600 | 0.079400 | -5.522139 |
| C2H2 | -12.471750 | 0.640955 | 0.642400 | -0.906510 |
| C2H4 | -13.725004 | 0.899276 | 0.899000 | 0.173384 |
| C2H6 | -14.956934 | 1.136273 | 1.136900 | -0.393184 |
| CH | -6.049219 | 0.133822 | 0.133900 | -0.049116 |
| CH2_1A1 | -6.693746 | 0.280882 | 0.288900 | -5.031326 |
| CH2_3B1 | -6.725160 | 0.312297 | 0.304100 | 5.143465 |
| CH3 | -7.403645 | 0.493315 | 0.490800 | 1.578365 |
| CH3Cl | -22.481075 | 0.628633 | 0.631000 | -1.485142 |
| CH4 | -8.075706 | 0.667910 | 0.670300 | -1.499859 |
| CN | -15.499625 | 0.296596 | 0.288800 | 4.891804 |
| CO | -21.720791 | 0.406126 | 0.413700 | -4.752941 |
| CO2 | -37.836708 | 0.625309 | 0.621400 | 2.452746 |
| CS | -15.798388 | 0.269061 | 0.274000 | -3.099051 |
| Cl2 | -29.973609 | 0.089386 | 0.094000 | -2.895432 |
| ClF | -39.225356 | 0.094442 | 0.100100 | -3.550567 |
| ClO | -30.943200 | 0.104354 | 0.104700 | -0.217225 |
| F2 | -48.441579 | 0.063973 | 0.062200 | 1.112590 |
| H2CO | -22.906450 | 0.596851 | 0.596700 | 0.094987 |
| H2O | -17.246569 | 0.354901 | 0.371900 | -10.667006 |
| H2O2 | -33.201882 | 0.413480 | 0.429400 | -9.989827 |
| H2S | -11.389498 | 0.283169 | 0.292000 | -5.541528 |
| H3COH | -24.113873 | 0.809342 | 0.818700 | -5.872374 |
| H3CSH | -18.268976 | 0.749784 | 0.757000 | -4.528211 |
| HCN | -16.198534 | 0.498038 | 0.496900 | 0.713833 |
| HCO | -22.262019 | 0.449887 | 0.444700 | 3.254932 |
| HCl | -15.604804 | 0.165226 | 0.171000 | -3.623105 |
| HF | -24.897525 | 0.211255 | 0.226100 | -9.315258 |
| HOCl | -31.590694 | 0.254381 | 0.264700 | -6.475113 |
| Li2 | -0.428519 | 0.027204 | 0.038900 | -7.339044 |
| LiF | -24.593998 | 0.204537 | 0.222000 | -10.958023 |
| LiH | -0.782770 | 0.084646 | 0.092430 | -4.884499 |
| N2 | -19.930500 | 0.360302 | 0.364600 | -2.697095 |
| N2H4 | -22.248305 | 0.688242 | 0.699600 | -7.127549 |
| NH | -10.420288 | 0.137723 | 0.133500 | 2.649862 |
| NH2 | -11.071521 | 0.291489 | 0.290400 | 0.683363 |
| NH3 | -11.743856 | 0.466358 | 0.475500 | -5.736732 |
| NO | -25.930965 | 0.249132 | 0.244500 | 2.906368 |
| Na2 | -0.388094 | 0.029199 | 0.026800 | 1.505153 |
| NaCl | -15.269819 | 0.148259 | 0.157400 | -5.735881 |
| O2 | -31.995301 | 0.201832 | 0.192400 | 5.918906 |
| OH | -16.559378 | 0.165177 | 0.170200 | -3.152207 |
| P2 | -13.108144 | 0.181196 | 0.186000 | -3.014399 |
| PH2 | -7.701329 | 0.242923 | 0.244000 | -0.676083 |
| PH3 | -8.331783 | 0.375910 | 0.389000 | -8.214205 |
| S2 | -20.389615 | 0.166824 | 0.164000 | 1.771909 |
| SO | -26.202316 | 0.194186 | 0.200700 | -4.087746 |
| SO2 | -42.278179 | 0.373314 | 0.414400 | -25.781815 |
| Si2 | -7.652895 | 0.123445 | 0.121000 | 1.533993 |
| Si2H6 | -11.328456 | 0.814207 | 0.849000 | -21.832665 |
| SiH2_1A1 | -4.991833 | 0.232175 | 0.243000 | -6.792524 |
| SiH2_3B1 | -4.967646 | 0.207988 | 0.210000 | -1.262584 |
| SiH3 | -5.606754 | 0.349629 | 0.363000 | -8.390186 |
| SiH4 | -6.248524 | 0.493933 | 0.515000 | -13.219613 |
| SiO | -19.946833 | 0.285373 | 0.306700 | -13.382961 |
|---------+------------+----------+----------+------------|
| | | 5.02 | -3.70 | 6.04 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** BLYP
#+NAME: dz-blyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.988064 | | | |
| C | -5.410195 | | | |
| Cl | -14.916694 | | | |
| F | -24.189925 | | | |
| H | -0.495150 | | | |
| Li | -0.196349 | | | |
| N | -9.770509 | | | |
| Na | -0.175409 | | | |
| O | -15.891656 | | | |
| P | -6.435546 | | | |
| S | -10.085757 | | | |
| Si | -3.745381 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.556618 | 0.073404 | 0.079400 | -3.762589 |
| C2H2 | -12.424888 | 0.614199 | 0.642400 | -17.696462 |
| C2H4 | -13.670672 | 0.869683 | 0.899000 | -18.396908 |
| C2H6 | -14.894114 | 1.102825 | 1.136900 | -21.382711 |
| CH | -6.039336 | 0.133992 | 0.133900 | 0.057494 |
| CH2_1A1 | -6.680512 | 0.280018 | 0.288900 | -5.573735 |
| CH2_3B1 | -6.700676 | 0.300181 | 0.304100 | -2.459253 |
| CH3 | -7.378027 | 0.482382 | 0.490800 | -5.282205 |
| CH3Cl | -22.418187 | 0.605849 | 0.631000 | -15.782783 |
| CH4 | -8.046184 | 0.655389 | 0.670300 | -9.356578 |
| CN | -15.461499 | 0.280795 | 0.288800 | -5.022934 |
| CO | -21.691791 | 0.389940 | 0.413700 | -14.909668 |
| CO2 | -37.783235 | 0.589728 | 0.621400 | -19.874348 |
| CS | -15.750022 | 0.254070 | 0.274000 | -12.506389 |
| Cl2 | -29.911351 | 0.077964 | 0.094000 | -10.062795 |
| ClF | -39.192330 | 0.085712 | 0.100100 | -9.028879 |
| ClO | -30.902002 | 0.093652 | 0.104700 | -6.932904 |
| F2 | -48.439704 | 0.059855 | 0.062200 | -1.471341 |
| H2CO | -22.868751 | 0.576600 | 0.596700 | -12.612673 |
| H2O | -17.230950 | 0.348993 | 0.371900 | -14.374084 |
| H2O2 | -33.174732 | 0.401119 | 0.429400 | -17.746395 |
| H2S | -11.356030 | 0.279973 | 0.292000 | -7.547210 |
| H3COH | -24.068207 | 0.785756 | 0.818700 | -20.672837 |
| H3CSH | -18.202429 | 0.725877 | 0.757000 | -19.530185 |
| HCN | -16.157678 | 0.481825 | 0.496900 | -9.459961 |
| HCO | -22.227978 | 0.430977 | 0.444700 | -8.611273 |
| HCl | -15.573480 | 0.161636 | 0.171000 | -5.876015 |
| HF | -24.892357 | 0.207283 | 0.226100 | -11.808019 |
| HOCl | -31.545554 | 0.242054 | 0.264700 | -14.210349 |
| Li2 | -0.422799 | 0.030101 | 0.038900 | -5.521584 |
| LiF | -24.592187 | 0.205913 | 0.222000 | -10.094817 |
| LiH | -0.785101 | 0.093602 | 0.092430 | 0.735479 |
| N2 | -19.893203 | 0.352186 | 0.364600 | -7.790038 |
| N2H4 | -22.195729 | 0.674112 | 0.699600 | -15.994195 |
| NH | -10.404192 | 0.138533 | 0.133500 | 3.158563 |
| NH2 | -11.051687 | 0.290878 | 0.290400 | 0.300194 |
| NH3 | -11.718246 | 0.462287 | 0.475500 | -8.291101 |
| NO | -25.900491 | 0.238326 | 0.244500 | -3.874276 |
| Na2 | -0.382275 | 0.031458 | 0.026800 | 2.922856 |
| NaCl | -15.239428 | 0.147326 | 0.157400 | -6.321734 |
| O2 | -31.970426 | 0.187114 | 0.192400 | -3.317107 |
| OH | -16.550158 | 0.163352 | 0.170200 | -4.296993 |
| P2 | -13.050474 | 0.179383 | 0.186000 | -4.152363 |
| PH2 | -7.672579 | 0.246733 | 0.244000 | 1.715282 |
| PH3 | -8.300701 | 0.379706 | 0.389000 | -5.832266 |
| S2 | -20.325400 | 0.153885 | 0.164000 | -6.346952 |
| SO | -26.160130 | 0.182716 | 0.200700 | -11.284931 |
| SO2 | -42.216285 | 0.347216 | 0.414400 | -42.158747 |
| Si2 | -7.606253 | 0.115492 | 0.121000 | -3.456402 |
| Si2H6 | -11.277898 | 0.816237 | 0.849000 | -20.558971 |
| SiH2_1A1 | -4.974313 | 0.238632 | 0.243000 | -2.740794 |
| SiH2_3B1 | -4.942689 | 0.207008 | 0.210000 | -1.877254 |
| SiH3 | -5.584612 | 0.353781 | 0.363000 | -5.784830 |
| SiH4 | -6.227515 | 0.501534 | 0.515000 | -8.449969 |
| SiO | -19.919708 | 0.282671 | 0.306700 | -15.078155 |
|---------+------------+----------+----------+------------|
| | | 9.53 | -9.21 | 7.91 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** PBE0
#+NAME: dz-pbe0
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.994318 | | | |
| C | -5.421146 | | | |
| Cl | -14.948397 | | | |
| F | -24.189146 | | | |
| H | -0.499431 | | | |
| Li | -0.200948 | | | |
| N | -9.790708 | | | |
| Na | -0.179543 | | | |
| O | -15.897980 | | | |
| P | -6.467798 | | | |
| S | -10.116079 | | | |
| Si | -3.766144 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.563416 | 0.069667 | 0.079400 | -6.107710 |
| C2H2 | -12.469009 | 0.627855 | 0.642400 | -9.126831 |
| C2H4 | -13.729397 | 0.889383 | 0.899000 | -6.034906 |
| C2H6 | -14.969664 | 1.130787 | 1.136900 | -3.835669 |
| CH | -6.051735 | 0.131158 | 0.133900 | -1.720354 |
| CH2_1A1 | -6.697562 | 0.277555 | 0.288900 | -7.119041 |
| CH2_3B1 | -6.730766 | 0.310759 | 0.304100 | 4.178584 |
| CH3 | -7.410762 | 0.491324 | 0.490800 | 0.328793 |
| CH3Cl | -22.489249 | 0.621414 | 0.631000 | -6.015040 |
| CH4 | -8.084052 | 0.665184 | 0.670300 | -3.210638 |
| CN | -15.481772 | 0.269918 | 0.288800 | -11.848704 |
| CO | -21.707474 | 0.388349 | 0.413700 | -15.908271 |
| CO2 | -37.808272 | 0.591167 | 0.621400 | -18.971563 |
| CS | -15.789677 | 0.252453 | 0.274000 | -13.521048 |
| Cl2 | -29.976361 | 0.079568 | 0.094000 | -9.056149 |
| ClF | -39.215130 | 0.077587 | 0.100100 | -14.126921 |
| ClO | -30.930958 | 0.084582 | 0.104700 | -12.624402 |
| F2 | -48.413376 | 0.035084 | 0.062200 | -17.015433 |
| H2CO | -22.896206 | 0.578219 | 0.596700 | -11.597073 |
| H2O | -17.243034 | 0.346193 | 0.371900 | -16.131389 |
| H2O2 | -33.181595 | 0.386774 | 0.429400 | -26.748059 |
| H2S | -11.394289 | 0.279349 | 0.292000 | -7.938658 |
| H3COH | -24.112980 | 0.796131 | 0.818700 | -14.162344 |
| H3CSH | -18.277123 | 0.742176 | 0.757000 | -9.302473 |
| HCN | -16.188403 | 0.477119 | 0.496900 | -12.412831 |
| HCO | -22.247789 | 0.429232 | 0.444700 | -9.706149 |
| HCl | -15.610641 | 0.162814 | 0.171000 | -5.136966 |
| HF | -24.893575 | 0.204998 | 0.226100 | -13.241447 |
| HOCl | -31.582495 | 0.236687 | 0.264700 | -17.578181 |
| Li2 | -0.429515 | 0.027619 | 0.038900 | -7.079069 |
| LiF | -24.584862 | 0.194768 | 0.222000 | -17.088359 |
| LiH | -0.783495 | 0.083116 | 0.092430 | -5.844810 |
| N2 | -19.915794 | 0.334378 | 0.364600 | -18.964545 |
| N2H4 | -22.245726 | 0.666587 | 0.699600 | -20.715792 |
| NH | -10.422715 | 0.132576 | 0.133500 | -0.579621 |
| NH2 | -11.073067 | 0.283498 | 0.290400 | -4.331116 |
| NH3 | -11.745934 | 0.456934 | 0.475500 | -11.650536 |
| NO | -25.910568 | 0.221880 | 0.244500 | -14.194094 |
| Na2 | -0.388297 | 0.029211 | 0.026800 | 1.512975 |
| NaCl | -15.275186 | 0.147246 | 0.157400 | -6.371465 |
| O2 | -31.969016 | 0.173056 | 0.192400 | -12.138469 |
| OH | -16.557417 | 0.160007 | 0.170200 | -6.396441 |
| P2 | -13.099744 | 0.164149 | 0.186000 | -13.711721 |
| PH2 | -7.705875 | 0.239216 | 0.244000 | -3.002098 |
| PH3 | -8.337411 | 0.371321 | 0.389000 | -11.093813 |
| S2 | -20.385501 | 0.153343 | 0.164000 | -6.687206 |
| SO | -26.187489 | 0.173431 | 0.200700 | -17.111743 |
| SO2 | -42.244171 | 0.332133 | 0.414400 | -51.623428 |
| Si2 | -7.648771 | 0.116482 | 0.121000 | -2.835333 |
| Si2H6 | -11.344420 | 0.815547 | 0.849000 | -20.992322 |
| SiH2_1A1 | -4.995147 | 0.230141 | 0.243000 | -8.069434 |
| SiH2_3B1 | -4.972367 | 0.207361 | 0.210000 | -1.655782 |
| SiH3 | -5.614139 | 0.349702 | 0.363000 | -8.344468 |
| SiH4 | -6.258532 | 0.494664 | 0.515000 | -12.760999 |
| SiO | -19.928931 | 0.264807 | 0.306700 | -26.288172 |
|---------+------------+----------+----------+------------|
| | | 11.20 | -10.98 | 8.68 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** B3LYP
#+NAME: dz-b3lyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.998136 | | | |
| C | -5.431412 | | | |
| Cl | -14.958096 | | | |
| F | -24.222499 | | | |
| H | -0.500253 | | | |
| Li | -0.200391 | | | |
| N | -9.799156 | | | |
| Na | -0.179112 | | | |
| O | -15.920208 | | | |
| P | -6.464518 | | | |
| S | -10.120165 | | | |
| Si | -3.766224 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.571692 | 0.073303 | 0.079400 | -3.825922 |
| C2H2 | -12.477544 | 0.614215 | 0.642400 | -17.686218 |
| C2H4 | -13.739894 | 0.876060 | 0.899000 | -14.395056 |
| C2H6 | -14.980872 | 1.116533 | 1.136900 | -12.780420 |
| CH | -6.065520 | 0.133856 | 0.133900 | -0.027889 |
| CH2_1A1 | -6.714134 | 0.282217 | 0.288900 | -4.193516 |
| CH2_3B1 | -6.735275 | 0.303358 | 0.304100 | -0.465871 |
| CH3 | -7.419748 | 0.487578 | 0.490800 | -2.021549 |
| CH3Cl | -22.501275 | 0.611009 | 0.631000 | -12.544429 |
| CH4 | -8.095463 | 0.663040 | 0.670300 | -4.555422 |
| CN | -15.494947 | 0.264379 | 0.288800 | -15.324218 |
| CO | -21.734424 | 0.382804 | 0.413700 | -19.387516 |
| CO2 | -37.847080 | 0.575252 | 0.621400 | -28.958440 |
| CS | -15.797931 | 0.246354 | 0.274000 | -17.348432 |
| Cl2 | -29.990079 | 0.073886 | 0.094000 | -12.621473 |
| ClF | -39.257406 | 0.076811 | 0.100100 | -14.613891 |
| ClO | -30.960845 | 0.082540 | 0.104700 | -13.905499 |
| F2 | -48.486531 | 0.041533 | 0.062200 | -12.968601 |
| H2CO | -22.924738 | 0.572612 | 0.596700 | -15.115297 |
| H2O | -17.269507 | 0.348793 | 0.371900 | -14.499605 |
| H2O2 | -33.231658 | 0.390736 | 0.429400 | -24.261910 |
| H2S | -11.402655 | 0.281985 | 0.292000 | -6.284520 |
| H3COH | -24.142533 | 0.789903 | 0.818700 | -18.070330 |
| H3CSH | -18.285654 | 0.733067 | 0.757000 | -15.018499 |
| HCN | -16.204026 | 0.473206 | 0.496900 | -14.868506 |
| HCO | -22.274671 | 0.422798 | 0.444700 | -13.743833 |
| HCl | -15.620958 | 0.162609 | 0.171000 | -5.265529 |
| HF | -24.929058 | 0.206307 | 0.226100 | -12.420602 |
| HOCl | -31.613929 | 0.235372 | 0.264700 | -18.403511 |
| Li2 | -0.432168 | 0.031385 | 0.038900 | -4.716027 |
| LiF | -24.624234 | 0.201344 | 0.222000 | -12.962157 |
| LiH | -0.794310 | 0.093666 | 0.092430 | 0.775841 |
| N2 | -19.935745 | 0.337433 | 0.364600 | -17.047592 |
| N2H4 | -22.269483 | 0.670161 | 0.699600 | -18.473055 |
| NH | -10.435276 | 0.135868 | 0.133500 | 1.485985 |
| NH2 | -11.088339 | 0.288679 | 0.290400 | -1.080166 |
| NH3 | -11.762250 | 0.462337 | 0.475500 | -8.259916 |
| NO | -25.941999 | 0.222635 | 0.244500 | -13.720627 |
| Na2 | -0.390663 | 0.032439 | 0.026800 | 3.538531 |
| NaCl | -15.286310 | 0.149102 | 0.157400 | -5.207230 |
| O2 | -32.011133 | 0.170717 | 0.192400 | -13.606397 |
| OH | -16.582737 | 0.162277 | 0.170200 | -4.971952 |
| P2 | -13.098680 | 0.169644 | 0.186000 | -10.263348 |
| PH2 | -7.712417 | 0.247394 | 0.244000 | 2.129876 |
| PH3 | -8.347350 | 0.382075 | 0.389000 | -4.345558 |
| S2 | -20.387748 | 0.147418 | 0.164000 | -10.405389 |
| SO | -26.211855 | 0.171481 | 0.200700 | -18.335010 |
| SO2 | -42.286626 | 0.326044 | 0.414400 | -55.444250 |
| Si2 | -7.645154 | 0.112706 | 0.121000 | -5.204294 |
| Si2H6 | -11.364090 | 0.830127 | 0.849000 | -11.842896 |
| SiH2_1A1 | -5.007363 | 0.240635 | 0.243000 | -1.484352 |
| SiH2_3B1 | -4.976415 | 0.209686 | 0.210000 | -0.196828 |
| SiH3 | -5.625722 | 0.358740 | 0.363000 | -2.673003 |
| SiH4 | -6.276243 | 0.509010 | 0.515000 | -3.759095 |
| SiO | -19.957807 | 0.271375 | 0.306700 | -22.166550 |
|---------+------------+----------+----------+------------|
| | | 11.27 | -10.98 | 9.59 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** $\mu=0$
**** CIPSI
#+NAME: dz-cipsi-0.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+------|
| Be | -0.993248 | | | | 7 |
| C | -5.415027 | | | | 22 |
| Cl | -14.939960 | | | | 15 |
| F | -24.186522 | | | | 15 |
| H | -0.497463 | | | | 1 |
| Li | -0.200622 | | | | 1 |
| N | -9.781515 | | | | 15 |
| Na | -0.179437 | | | | 1 |
| O | -15.892659 | | | | 30 |
| P | -6.462474 | | | | 12 |
| S | -10.108694 | | | | 19 |
| Si | -3.762593 | | | | 21 |
|---------+------------+----------+----------+------------+------|
| BeH | -1.558664 | 0.067953 | 0.079400 | -7.183403 | 15 |
| C2H2 | -12.471515 | 0.646535 | 0.642400 | 2.594724 | 23 |
| C2H4 | -13.724919 | 0.905013 | 0.899000 | 3.773372 | 47 |
| C2H6 | -14.956874 | 1.142042 | 1.136900 | 3.226464 | 95 |
| CH | -6.046757 | 0.134267 | 0.133900 | 0.230129 | 16 |
| CH2_1A1 | -6.693162 | 0.283209 | 0.288900 | -3.571043 | 11 |
| CH2_3B1 | -6.718171 | 0.308218 | 0.304100 | 2.583914 | 35 |
| CH3 | -7.400803 | 0.493387 | 0.490800 | 1.623267 | 34 |
| CH3Cl | -22.480882 | 0.633506 | 0.631000 | 1.572723 | 95 |
| CH4 | -8.075889 | 0.671010 | 0.670300 | 0.445691 | 47 |
| CN | -15.495478 | 0.298936 | 0.288800 | 6.360200 | 80 |
| CO | -21.720728 | 0.413042 | 0.413700 | -0.413200 | 47 |
| CO2 | -37.836668 | 0.636322 | 0.621400 | 9.363959 | 99 |
| CS | -15.798359 | 0.274638 | 0.274000 | 0.400572 | 47 |
| Cl2 | -29.973613 | 0.093693 | 0.094000 | -0.192680 | 47 |
| ClF | -39.225326 | 0.098844 | 0.100100 | -0.788330 | 95 |
| ClO | -30.939687 | 0.107068 | 0.104700 | 1.485702 | 139 |
| F2 | -48.441566 | 0.068522 | 0.062200 | 3.967041 | 23 |
| H2CO | -22.906390 | 0.603778 | 0.596700 | 4.441495 | 95 |
| H2O | -17.246557 | 0.358972 | 0.371900 | -8.112291 | 23 |
| H2O2 | -33.201845 | 0.421601 | 0.429400 | -4.894030 | 95 |
| H2S | -11.389511 | 0.285891 | 0.292000 | -3.833390 | 23 |
| H3COH | -24.114466 | 0.816928 | 0.818700 | -1.111846 | 191 |
| H3CSH | -18.268034 | 0.754461 | 0.757000 | -1.593168 | 191 |
| HCN | -16.198138 | 0.504133 | 0.496900 | 4.538815 | 23 |
| HCO | -22.259446 | 0.454297 | 0.444700 | 6.022308 | 75 |
| HCl | -15.604297 | 0.166874 | 0.171000 | -2.589052 | 5 |
| HF | -24.897651 | 0.213666 | 0.226100 | -7.802434 | 23 |
| HOCl | -31.590525 | 0.260443 | 0.264700 | -2.671322 | 95 |
| Li2 | -0.428509 | 0.027266 | 0.038900 | -7.300224 | 5 |
| LiF | -24.593060 | 0.205916 | 0.222000 | -10.092758 | 11 |
| LiH | -0.782437 | 0.084353 | 0.092430 | -5.068356 | 5 |
| N2 | -19.930424 | 0.367394 | 0.364600 | 1.753156 | 23 |
| N2H4 | -22.248700 | 0.695818 | 0.699600 | -2.372950 | 191 |
| NH | -10.415491 | 0.136513 | 0.133500 | 1.890457 | 45 |
| NH2 | -11.068639 | 0.292198 | 0.290400 | 1.128279 | 35 |
| NH3 | -11.744005 | 0.470101 | 0.475500 | -3.387745 | 23 |
| NO | -25.928806 | 0.254632 | 0.244500 | 6.357683 | 35 |
| Na2 | -0.388056 | 0.029181 | 0.026800 | 1.494119 | 5 |
| NaCl | -15.268927 | 0.149530 | 0.157400 | -4.938570 | 5 |
| O2 | -31.991110 | 0.205792 | 0.192400 | 8.403459 | 91 |
| OH | -16.556950 | 0.166828 | 0.170200 | -2.116121 | 35 |
| P2 | -13.107745 | 0.182797 | 0.186000 | -2.009646 | 11 |
| PH2 | -7.698555 | 0.241155 | 0.244000 | -1.785277 | 35 |
| PH3 | -8.331759 | 0.376896 | 0.389000 | -7.595484 | 47 |
| S2 | -20.387830 | 0.170442 | 0.164000 | 4.042575 | 39 |
| SO | -26.199505 | 0.198152 | 0.200700 | -1.598897 | 89 |
| SO2 | -42.278140 | 0.384129 | 0.414400 | -18.995528 | 192 |
| Si2 | -7.647965 | 0.122779 | 0.121000 | 1.116624 | 48 |
| Si2H6 | -11.327554 | 0.817591 | 0.849000 | -19.709209 | 95 |
| SiH2_1A1 | -4.991589 | 0.234071 | 0.243000 | -5.603195 | 23 |
| SiH2_3B1 | -4.962884 | 0.205365 | 0.210000 | -2.908299 | 41 |
| SiH3 | -5.603916 | 0.348935 | 0.363000 | -8.826063 | 67 |
| SiH4 | -6.249339 | 0.496894 | 0.515000 | -11.361548 | 95 |
| SiO | -19.946413 | 0.291161 | 0.306700 | -9.750901 | 23 |
|---------+------------+----------+----------+------------+------|
| | | 4.53 | -1.66 | 5.91 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: dz-dmc-0.00
| | Total E | Delta E | | | Reference | Error | | Ndet |
| | Hartree | Hartree | | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| Be | -0.998148 | 0.000092 | 0.000000 | 0.000130 | | | | 7 |
| C | -5.416660 | 0.000115 | 0.000000 | 0.000162 | | | | 22 |
| Cl | -14.941027 | 0.000238 | 0.000000 | 0.000337 | | | | 15 |
| F | -24.188696 | 0.000307 | 0.000000 | 0.000434 | | | | 15 |
| H | -0.500031 | 0.000018 | 0.000000 | 0.000026 | | | | 1 |
| Li | -0.196316 | 0.000015 | 0.000000 | 0.000021 | | | | 1 |
| N | -9.788967 | 0.000036 | 0.000000 | 0.000050 | | | | 15 |
| Na | -0.182137 | 0.000024 | 0.000000 | 0.000035 | | | | 1 |
| O | -15.892761 | 0.000165 | 0.000000 | 0.000234 | | | | 30 |
| P | -6.462282 | 0.000147 | 0.000000 | 0.000208 | | | | 12 |
| S | -10.108631 | 0.000180 | 0.000000 | 0.000254 | | | | 19 |
| Si | -3.758637 | 0.000127 | 0.000000 | 0.000179 | | | | 21 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| BeH | -1.577615 | 0.000141 | 0.079436 | 0.000169 | 0.079400 | 0.022764 | 0.105989 | 15 |
| C2H2 | -12.484315 | 0.000151 | 0.650934 | 0.000277 | 0.642400 | 5.355209 | 0.173910 | 23 |
| C2H4 | -13.739259 | 0.000229 | 0.905816 | 0.000332 | 0.899000 | 4.277377 | 0.208402 | 47 |
| C2H6 | -14.981071 | 0.000333 | 1.147568 | 0.000419 | 1.136900 | 6.694192 | 0.262996 | 95 |
| CH | -6.049268 | 0.000196 | 0.132578 | 0.000228 | 0.133900 | -0.829728 | 0.142843 | 16 |
| CH2_1A1 | -6.703492 | 0.000238 | 0.286770 | 0.000266 | 0.288900 | -1.336311 | 0.167125 | 11 |
| CH2_3B1 | -6.724996 | 0.000269 | 0.308275 | 0.000295 | 0.304100 | 2.619917 | 0.185176 | 35 |
| CH3 | -7.412882 | 0.000292 | 0.496130 | 0.000318 | 0.490800 | 3.344668 | 0.199835 | 34 |
| CH3Cl | -22.489205 | 0.000399 | 0.631425 | 0.000482 | 0.631000 | 0.266960 | 0.302320 | 95 |
| CH4 | -8.092108 | 0.000399 | 0.675326 | 0.000421 | 0.670300 | 3.153570 | 0.264435 | 47 |
| CN | -15.485848 | 0.000492 | 0.280221 | 0.000507 | 0.288800 | -5.383274 | 0.317893 | 80 |
| CO | -21.720292 | 0.000637 | 0.410872 | 0.000668 | 0.413700 | -1.774827 | 0.419105 | 47 |
| CO2 | -37.821311 | 0.000457 | 0.619130 | 0.000576 | 0.621400 | -1.424287 | 0.361548 | 99 |
| CS | -15.791296 | 0.000506 | 0.266005 | 0.000549 | 0.274000 | -5.016926 | 0.344390 | 47 |
| Cl2 | -29.970408 | 0.000318 | 0.088353 | 0.000573 | 0.094000 | -3.543283 | 0.359273 | 47 |
| ClF | -39.217307 | 0.000473 | 0.087584 | 0.000612 | 0.100100 | -7.853689 | 0.384201 | 95 |
| ClO | -30.922660 | 0.000313 | 0.088872 | 0.000426 | 0.104700 | -9.932428 | 0.267499 | 139 |
| F2 | -48.419510 | 0.000441 | 0.042118 | 0.000756 | 0.062200 | -12.601453 | 0.474402 | 23 |
| H2CO | -22.905562 | 0.000327 | 0.596081 | 0.000386 | 0.596700 | -0.388687 | 0.242254 | 95 |
| H2O | -17.253644 | 0.000357 | 0.360822 | 0.000395 | 0.371900 | -6.951452 | 0.247730 | 23 |
| H2O2 | -33.191401 | 0.000427 | 0.405818 | 0.000541 | 0.429400 | -14.797733 | 0.339586 | 95 |
| H2S | -11.395361 | 0.000322 | 0.286668 | 0.000370 | 0.292000 | -3.345828 | 0.232243 | 23 |
| H3COH | -24.124994 | 0.000490 | 0.815451 | 0.000535 | 0.818700 | -2.039009 | 0.335828 | 191 |
| H3CSH | -18.280515 | 0.000406 | 0.755102 | 0.000465 | 0.757000 | -1.191089 | 0.291560 | 191 |
| HCN | -16.202168 | 0.000572 | 0.496510 | 0.000585 | 0.496900 | -0.244593 | 0.366861 | 23 |
| HCO | -22.249935 | 0.000774 | 0.440484 | 0.000800 | 0.444700 | -2.645570 | 0.501756 | 75 |
| HCl | -15.609712 | 0.000275 | 0.168654 | 0.000364 | 0.171000 | -1.472270 | 0.228279 | 5 |
| HF | -24.906034 | 0.000455 | 0.217308 | 0.000549 | 0.226100 | -5.517341 | 0.344784 | 23 |
| HOCl | -31.584385 | 0.000377 | 0.250566 | 0.000476 | 0.264700 | -8.869252 | 0.298768 | 95 |
| Li2 | -0.427876 | 0.000084 | 0.035245 | 0.000089 | 0.038900 | -2.293696 | 0.055644 | 5 |
| LiF | -24.603768 | 0.000419 | 0.218757 | 0.000519 | 0.222000 | -2.035264 | 0.325981 | 11 |
| LiH | -0.787812 | 0.000083 | 0.091466 | 0.000086 | 0.092430 | -0.605086 | 0.053909 | 5 |
| N2 | -19.928185 | 0.000613 | 0.350251 | 0.000617 | 0.364600 | -9.004438 | 0.387145 | 23 |
| N2H4 | -22.255178 | 0.000375 | 0.677120 | 0.000388 | 0.699600 | -14.106114 | 0.243589 | 191 |
| NH | -10.417399 | 0.000228 | 0.128401 | 0.000232 | 0.133500 | -3.199541 | 0.145362 | 45 |
| NH2 | -11.073019 | 0.000082 | 0.283990 | 0.000097 | 0.290400 | -4.022326 | 0.060564 | 35 |
| NH3 | -11.755605 | 0.000347 | 0.466545 | 0.000353 | 0.475500 | -5.619208 | 0.221255 | 23 |
| NO | -25.910194 | 0.000669 | 0.228466 | 0.000690 | 0.244500 | -10.061467 | 0.433014 | 35 |
| Na2 | -0.391131 | 0.000091 | 0.026858 | 0.000103 | 0.026800 | 0.036634 | 0.064662 | 5 |
| NaCl | -15.281629 | 0.001813 | 0.158465 | 0.001829 | 0.157400 | 0.668304 | 1.147535 | 5 |
| O2 | -31.964858 | 0.000879 | 0.179337 | 0.000939 | 0.192400 | -8.197267 | 0.589424 | 91 |
| OH | -16.557607 | 0.000305 | 0.164816 | 0.000348 | 0.170200 | -3.378615 | 0.218269 | 35 |
| P2 | -13.097772 | 0.000437 | 0.173209 | 0.000527 | 0.186000 | -8.026652 | 0.330702 | 11 |
| PH2 | -7.702449 | 0.000290 | 0.240107 | 0.000327 | 0.244000 | -2.443158 | 0.205081 | 35 |
| PH3 | -8.340935 | 0.000453 | 0.378561 | 0.000480 | 0.389000 | -6.550546 | 0.301126 | 47 |
| S2 | -20.374718 | 0.000620 | 0.157456 | 0.000717 | 0.164000 | -4.106672 | 0.449728 | 39 |
| SO | -26.188905 | 0.000740 | 0.187514 | 0.000780 | 0.200700 | -8.274629 | 0.489251 | 89 |
| SO2 | -42.271831 | 0.000759 | 0.377679 | 0.000847 | 0.414400 | -23.042908 | 0.531638 | 192 |
| Si2 | -7.631237 | 0.000129 | 0.113964 | 0.000285 | 0.121000 | -4.415309 | 0.178590 | 48 |
| Si2H6 | -11.363350 | 0.000519 | 0.845893 | 0.000588 | 0.849000 | -1.949890 | 0.368734 | 95 |
| SiH2_1A1 | -5.001084 | 0.000271 | 0.242386 | 0.000301 | 0.243000 | -0.385367 | 0.188852 | 23 |
| SiH2_3B1 | -4.969578 | 0.000276 | 0.210880 | 0.000306 | 0.210000 | 0.552077 | 0.191864 | 41 |
| SiH3 | -5.619669 | 0.000385 | 0.360940 | 0.000409 | 0.363000 | -1.292645 | 0.256902 | 67 |
| SiH4 | -6.273878 | 0.000571 | 0.515119 | 0.000590 | 0.515000 | 0.074705 | 0.370052 | 95 |
| SiO | -19.948315 | 0.000541 | 0.296918 | 0.000580 | 0.306700 | -6.138378 | 0.364006 | 23 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| | 4.61 | 0.34 | -3.62 | 5.30 | 0.09 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1/4$
**** CIPSI
#+NAME: dz-cipsi-0.25
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+------|
| Be | -0.990898 | | | | 12 |
| C | -5.418170 | | | | 7 |
| Cl | -14.937611 | | | | 11 |
| F | -24.188208 | | | | 8 |
| H | -0.498899 | | | | 1 |
| Li | -0.198788 | | | | 1 |
| N | -9.786270 | | | | 9 |
| Na | -0.176097 | | | | 1 |
| O | -15.894795 | | | | 6 |
| P | -6.461580 | | | | 41 |
| S | -10.106026 | | | | 6 |
| Si | -3.759767 | | | | 35 |
|---------+------------+----------+----------+------------+------|
| BeH | -1.558909 | 0.069111 | 0.079400 | -6.456475 | 7 |
| C2H2 | -12.471698 | 0.637560 | 0.642400 | -3.037220 | 198 |
| C2H4 | -13.726706 | 0.894768 | 0.899000 | -2.655519 | 385 |
| C2H6 | -14.962823 | 1.133087 | 1.136900 | -2.392704 | 2916 |
| CH | -6.046905 | 0.129835 | 0.133900 | -2.550684 | 7 |
| CH2_1A1 | -6.693768 | 0.277799 | 0.288900 | -6.966033 | 8 |
| CH2_3B1 | -6.720192 | 0.304223 | 0.304100 | 0.077471 | 6 |
| CH3 | -7.402377 | 0.487509 | 0.490800 | -2.065178 | 26 |
| CH3Cl | -22.479630 | 0.627151 | 0.631000 | -2.415124 | 1601 |
| CH4 | -8.077764 | 0.663997 | 0.670300 | -3.955332 | 95 |
| CN | -15.489681 | 0.285241 | 0.288800 | -2.233465 | 171 |
| CO | -21.724108 | 0.411144 | 0.413700 | -1.604169 | 51 |
| CO2 | -37.837557 | 0.629798 | 0.621400 | 5.269703 | 184 |
| CS | -15.789705 | 0.265510 | 0.274000 | -5.327873 | 414 |
| Cl2 | -29.964137 | 0.088916 | 0.094000 | -3.190568 | 394 |
| ClF | -39.223298 | 0.097479 | 0.100100 | -1.644539 | 20 |
| ClO | -30.934485 | 0.102079 | 0.104700 | -1.644598 | 101 |
| F2 | -48.443178 | 0.066763 | 0.062200 | 2.863228 | 8 |
| H2CO | -22.908464 | 0.597700 | 0.596700 | 0.627571 | 193 |
| H2O | -17.249751 | 0.357158 | 0.371900 | -9.250928 | 8 |
| H2O2 | -33.205714 | 0.418325 | 0.429400 | -6.949513 | 23 |
| H2S | -11.384757 | 0.280933 | 0.292000 | -6.944801 | 150 |
| H3COH | -24.120733 | 0.812171 | 0.818700 | -4.097129 | 1684 |
| H3CSH | -18.266078 | 0.746285 | 0.757000 | -6.723789 | 3354 |
| HCN | -16.198560 | 0.495220 | 0.496900 | -1.054027 | 200 |
| HCO | -22.261161 | 0.449297 | 0.444700 | 2.884545 | 311 |
| HCl | -15.601020 | 0.164510 | 0.171000 | -4.072465 | 42 |
| HF | -24.900836 | 0.213729 | 0.226100 | -7.763223 | 10 |
| HOCl | -31.588728 | 0.257423 | 0.264700 | -4.566233 | 422 |
| Li2 | -0.427271 | 0.029694 | 0.038900 | -5.776626 | 11 |
| LiF | -24.598963 | 0.211967 | 0.222000 | -6.295769 | 9 |
| LiH | -0.784367 | 0.086680 | 0.092430 | -3.608453 | 5 |
| N2 | -19.931576 | 0.359035 | 0.364600 | -3.491877 | 48 |
| N2H4 | -22.254132 | 0.685994 | 0.699600 | -8.537908 | 3322 |
| NH | -10.417015 | 0.131845 | 0.133500 | -1.038490 | 7 |
| NH2 | -11.069643 | 0.285574 | 0.290400 | -3.028271 | 14 |
| NH3 | -11.746153 | 0.463185 | 0.475500 | -7.728019 | 9 |
| NO | -25.930468 | 0.249403 | 0.244500 | 3.076957 | 18 |
| Na2 | -0.384111 | 0.031918 | 0.026800 | 3.211375 | 23 |
| NaCl | -15.267390 | 0.153682 | 0.157400 | -2.332817 | 92 |
| O2 | -31.992300 | 0.202710 | 0.192400 | 6.469744 | 15 |
| OH | -16.558997 | 0.165303 | 0.170200 | -3.072822 | 13 |
| P2 | -13.090532 | 0.167372 | 0.186000 | -11.689277 | 804 |
| PH2 | -7.693593 | 0.234214 | 0.244000 | -6.140965 | 105 |
| PH3 | -8.326289 | 0.368010 | 0.389000 | -13.171175 | 394 |
| S2 | -20.373301 | 0.161249 | 0.164000 | -1.726247 | 1098 |
| SO | -26.195430 | 0.194609 | 0.200700 | -3.822324 | 254 |
| SO2 | -42.274650 | 0.379035 | 0.414400 | -22.191981 | 1604 |
| Si2 | -7.628879 | 0.109345 | 0.121000 | -7.313897 | 1389 |
| Si2H6 | -11.325316 | 0.812385 | 0.849000 | -22.976204 | 6367 |
| SiH2_1A1 | -4.987179 | 0.229613 | 0.243000 | -8.400549 | 148 |
| SiH2_3B1 | -4.960986 | 0.203420 | 0.210000 | -4.129318 | 113 |
| SiH3 | -5.602453 | 0.345988 | 0.363000 | -10.675270 | 290 |
| SiH4 | -6.248122 | 0.492757 | 0.515000 | -13.957637 | 765 |
| SiO | -19.945329 | 0.290767 | 0.306700 | -9.998336 | 307 |
|---------+------------+----------+----------+------------+------|
| | | 5.55 | -4.66 | 5.52 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: dz-dmc-0.25
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| Be | -1.000950 | 0.000077 | 0.000000 | 0.000109 | | | | 12 |
| C | -5.418125 | 0.000127 | 0.000000 | 0.000180 | | | | 7 |
| Cl | -14.941712 | 0.000114 | 0.000000 | 0.000162 | | | | 11 |
| F | -24.188728 | 0.000285 | 0.000000 | 0.000403 | | | | 8 |
| H | -0.499992 | 0.000020 | 0.000000 | 0.000029 | | | | 1 |
| Li | -0.196329 | 0.000015 | 0.000000 | 0.000021 | | | | 1 |
| N | -9.788667 | 0.000111 | 0.000000 | 0.000157 | | | | 9 |
| Na | -0.182037 | 0.000024 | 0.000000 | 0.000033 | | | | 1 |
| O | -15.892785 | 0.000180 | 0.000000 | 0.000254 | | | | 6 |
| P | -6.464300 | 0.000138 | 0.000000 | 0.000195 | | | | 41 |
| S | -10.109068 | 0.000153 | 0.000000 | 0.000217 | | | | 6 |
| Si | -3.759874 | 0.000098 | 0.000000 | 0.000139 | | | | 35 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| BeH | -1.577971 | 0.000128 | 0.077029 | 0.000151 | 0.079400 | -1.487643 | 0.094552 | 7 |
| C2H2 | -12.486730 | 0.000669 | 0.650496 | 0.000716 | 0.642400 | 5.080370 | 0.449548 | 198 |
| C2H4 | -13.741231 | 0.000683 | 0.905014 | 0.000733 | 0.899000 | 3.773550 | 0.460116 | 385 |
| C2H6 | -14.980526 | 0.000464 | 1.144325 | 0.000543 | 1.136900 | 4.659101 | 0.340885 | 2916 |
| CH | -6.049806 | 0.000150 | 0.131689 | 0.000197 | 0.133900 | -1.387389 | 0.123828 | 7 |
| CH2_1A1 | -6.705096 | 0.000214 | 0.286988 | 0.000252 | 0.288900 | -1.200013 | 0.158314 | 8 |
| CH2_3B1 | -6.725226 | 0.000143 | 0.307118 | 0.000196 | 0.304100 | 1.893573 | 0.122759 | 6 |
| CH3 | -7.412609 | 0.000358 | 0.494508 | 0.000385 | 0.490800 | 2.326982 | 0.241282 | 26 |
| CH3Cl | -22.492399 | 0.000748 | 0.632586 | 0.000770 | 0.631000 | 0.995103 | 0.483283 | 1601 |
| CH4 | -8.093244 | 0.000174 | 0.675152 | 0.000231 | 0.670300 | 3.044423 | 0.144710 | 95 |
| CN | -15.490160 | 0.000308 | 0.283368 | 0.000351 | 0.288800 | -3.408539 | 0.220358 | 171 |
| CO | -21.723377 | 0.000665 | 0.412467 | 0.000700 | 0.413700 | -0.773921 | 0.439229 | 51 |
| CO2 | -37.822849 | 0.000494 | 0.619154 | 0.000624 | 0.621400 | -1.409325 | 0.391315 | 184 |
| CS | -15.796844 | 0.000377 | 0.269651 | 0.000426 | 0.274000 | -2.728813 | 0.267315 | 414 |
| Cl2 | -29.973351 | 0.000494 | 0.089927 | 0.000545 | 0.094000 | -2.555890 | 0.341684 | 394 |
| ClF | -39.219049 | 0.000920 | 0.088609 | 0.000970 | 0.100100 | -7.210469 | 0.608396 | 20 |
| ClO | -30.924581 | 0.000543 | 0.090083 | 0.000583 | 0.104700 | -9.172141 | 0.366117 | 101 |
| F2 | -48.421969 | 0.000420 | 0.044513 | 0.000708 | 0.062200 | -11.098678 | 0.444069 | 8 |
| H2CO | -22.906726 | 0.000603 | 0.595833 | 0.000643 | 0.596700 | -0.544331 | 0.403588 | 193 |
| H2O | -17.253825 | 0.000305 | 0.361056 | 0.000356 | 0.371900 | -6.804531 | 0.223570 | 8 |
| H2O2 | -33.192631 | 0.000246 | 0.407077 | 0.000437 | 0.429400 | -14.008183 | 0.274326 | 23 |
| H2S | -11.397763 | 0.000419 | 0.288711 | 0.000448 | 0.292000 | -2.063710 | 0.281350 | 150 |
| H3COH | -24.124458 | 0.000636 | 0.813580 | 0.000678 | 0.818700 | -3.212607 | 0.425360 | 1684 |
| H3CSH | -18.283433 | 0.000546 | 0.756272 | 0.000587 | 0.757000 | -0.456731 | 0.368206 | 3354 |
| HCN | -16.204158 | 0.000579 | 0.497375 | 0.000603 | 0.496900 | 0.297906 | 0.378384 | 200 |
| HCO | -22.253647 | 0.000678 | 0.442745 | 0.000713 | 0.444700 | -1.226619 | 0.447521 | 311 |
| HCl | -15.611220 | 0.000442 | 0.169515 | 0.000457 | 0.171000 | -0.931623 | 0.287064 | 42 |
| HF | -24.906153 | 0.000593 | 0.217433 | 0.000658 | 0.226100 | -5.438329 | 0.412875 | 10 |
| HOCl | -31.587513 | 0.000397 | 0.253023 | 0.000451 | 0.264700 | -7.327206 | 0.282720 | 422 |
| Li2 | -0.430261 | 0.000053 | 0.037603 | 0.000061 | 0.038900 | -0.814136 | 0.038053 | 11 |
| LiF | -24.604507 | 0.000693 | 0.219450 | 0.000749 | 0.222000 | -1.599960 | 0.470022 | 9 |
| LiH | -0.787972 | 0.000110 | 0.091651 | 0.000113 | 0.092430 | -0.488719 | 0.070934 | 5 |
| N2 | -19.931961 | 0.000410 | 0.354628 | 0.000467 | 0.364600 | -6.257629 | 0.292981 | 48 |
| N2H4 | -22.255192 | 0.000763 | 0.677891 | 0.000799 | 0.699600 | -13.622919 | 0.501092 | 3322 |
| NH | -10.417875 | 0.000259 | 0.129216 | 0.000283 | 0.133500 | -2.688057 | 0.177463 | 7 |
| NH2 | -11.073561 | 0.000181 | 0.284910 | 0.000217 | 0.290400 | -3.444851 | 0.135913 | 14 |
| NH3 | -11.755378 | 0.000233 | 0.466736 | 0.000265 | 0.475500 | -5.499711 | 0.166436 | 9 |
| NO | -25.913532 | 0.000811 | 0.232081 | 0.000838 | 0.244500 | -7.793344 | 0.525825 | 18 |
| Na2 | -0.391001 | 0.000066 | 0.026926 | 0.000081 | 0.026800 | 0.079339 | 0.051089 | 23 |
| NaCl | -15.283725 | 0.001574 | 0.159976 | 0.001579 | 0.157400 | 1.616163 | 0.990687 | 92 |
| O2 | -31.966079 | 0.000404 | 0.180509 | 0.000540 | 0.192400 | -7.461779 | 0.339051 | 15 |
| OH | -16.557945 | 0.000264 | 0.165168 | 0.000320 | 0.170200 | -3.157852 | 0.200625 | 13 |
| P2 | -13.103593 | 0.000602 | 0.174993 | 0.000662 | 0.186000 | -6.907095 | 0.415396 | 804 |
| PH2 | -7.704684 | 0.000262 | 0.240399 | 0.000299 | 0.244000 | -2.259446 | 0.187559 | 105 |
| PH3 | -8.342310 | 0.000522 | 0.378034 | 0.000543 | 0.389000 | -6.881522 | 0.340693 | 394 |
| S2 | -20.378979 | 0.000644 | 0.160843 | 0.000713 | 0.164000 | -1.980744 | 0.447258 | 1098 |
| SO | -26.191046 | 0.000345 | 0.189193 | 0.000418 | 0.200700 | -7.220757 | 0.262336 | 254 |
| SO2 | -42.273362 | 0.001257 | 0.378724 | 0.001316 | 0.414400 | -22.387194 | 0.825742 | 1604 |
| Si2 | -7.635631 | 0.000338 | 0.115883 | 0.000391 | 0.121000 | -3.210959 | 0.245465 | 1389 |
| Si2H6 | -11.365782 | 0.000704 | 0.846082 | 0.000741 | 0.849000 | -1.831326 | 0.464982 | 6367 |
| SiH2_1A1 | -5.002280 | 0.000298 | 0.242422 | 0.000316 | 0.243000 | -0.362891 | 0.198585 | 148 |
| SiH2_3B1 | -4.971591 | 0.000317 | 0.211733 | 0.000334 | 0.210000 | 1.087719 | 0.209637 | 113 |
| SiH3 | -5.620878 | 0.000316 | 0.361028 | 0.000337 | 0.363000 | -1.237534 | 0.211323 | 290 |
| SiH4 | -6.274259 | 0.000352 | 0.514417 | 0.000375 | 0.515000 | -0.365936 | 0.235128 | 765 |
| SiO | -19.950838 | 0.000744 | 0.298179 | 0.000772 | 0.306700 | -5.347322 | 0.484376 | 307 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| | 4.04 | 0.37 | -3.13 | 4.88 | 0.10 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1/2$
**** CIPSI
#+NAME: dz-cipsi-0.50
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+--------|
| Be | -0.992733 | | | | 11 |
| C | -5.424193 | | | | 64 |
| Cl | -14.936917 | | | | 461 |
| F | -24.211164 | | | | 47 |
| H | -0.502302 | | | | 1 |
| Li | -0.196387 | | | | 1 |
| N | -9.800001 | | | | 55 |
| Na | -0.174540 | | | | 1 |
| O | -15.911458 | | | | 107 |
| P | -6.459292 | | | | 159 |
| S | -10.103616 | | | | 243 |
| Si | -3.755570 | | | | 129 |
|---------+------------+----------+----------+------------+--------|
| BeH | -1.559665 | 0.064630 | 0.079400 | -9.268590 | 123 |
| C2H2 | -12.471534 | 0.618546 | 0.642400 | -14.968783 | 9728 |
| C2H4 | -13.729919 | 0.872327 | 0.899000 | -16.737595 | 23964 |
| C2H6 | -14.972133 | 1.109937 | 1.136900 | -16.919464 | 91784 |
| CH | -6.051231 | 0.124737 | 0.133900 | -5.750116 | 563 |
| CH2_1A1 | -6.698845 | 0.270049 | 0.288900 | -11.829303 | 835 |
| CH2_3B1 | -6.727757 | 0.298961 | 0.304100 | -3.224773 | 1246 |
| CH3 | -7.409416 | 0.478319 | 0.490800 | -7.832194 | 1237 |
| CH3Cl | -22.477835 | 0.609820 | 0.631000 | -13.290489 | 49757 |
| CH4 | -8.084849 | 0.651450 | 0.670300 | -11.828671 | 6627 |
| CN | -15.486349 | 0.262155 | 0.288800 | -16.719820 | 11031 |
| CO | -21.730324 | 0.394674 | 0.413700 | -11.939218 | 5235 |
| CO2 | -37.845033 | 0.597923 | 0.621400 | -14.731778 | 36066 |
| CS | -15.779785 | 0.251977 | 0.274000 | -13.819555 | 24821 |
| Cl2 | -29.950545 | 0.076711 | 0.094000 | -10.848822 | 12189 |
| ClF | -39.229805 | 0.081725 | 0.100100 | -11.530775 | 13567 |
| ClO | -30.931179 | 0.082804 | 0.104700 | -13.740165 | 12137 |
| F2 | -48.464871 | 0.042543 | 0.062200 | -12.334916 | 1743 |
| H2CO | -22.915457 | 0.575202 | 0.596700 | -13.490053 | 11335 |
| H2O | -17.262607 | 0.346545 | 0.371900 | -15.910229 | 942 |
| H2O2 | -33.218344 | 0.390824 | 0.429400 | -24.206976 | 30977 |
| H2S | -11.381054 | 0.272835 | 0.292000 | -12.026395 | 2744 |
| H3COH | -24.134504 | 0.789646 | 0.818700 | -18.231622 | 55296 |
| H3CSH | -18.264445 | 0.727429 | 0.757000 | -18.556005 | 212599 |
| HCN | -16.198797 | 0.472302 | 0.496900 | -15.435639 | 6486 |
| HCO | -22.265861 | 0.427908 | 0.444700 | -10.537012 | 26176 |
| HCl | -15.598913 | 0.159695 | 0.171000 | -7.094202 | 1519 |
| HF | -24.921651 | 0.208185 | 0.226100 | -11.241954 | 278 |
| HOCl | -31.588809 | 0.238132 | 0.264700 | -16.671508 | 25000 |
| Li2 | -0.428159 | 0.035385 | 0.038900 | -2.205628 | 11 |
| LiF | -24.616249 | 0.208698 | 0.222000 | -8.347308 | 402 |
| LiH | -0.783586 | 0.084897 | 0.092430 | -4.726728 | 22 |
| N2 | -19.934126 | 0.334123 | 0.364600 | -19.124792 | 3285 |
| N2H4 | -22.263550 | 0.654340 | 0.699600 | -28.400957 | 96249 |
| NH | -10.426427 | 0.124124 | 0.133500 | -5.883439 | 571 |
| NH2 | -11.077771 | 0.273166 | 0.290400 | -10.814775 | 1273 |
| NH3 | -11.754660 | 0.447753 | 0.475500 | -17.411264 | 2702 |
| NO | -25.936476 | 0.225016 | 0.244500 | -12.226195 | 5339 |
| Na2 | -0.382440 | 0.033360 | 0.026800 | 4.116616 | 20 |
| NaCl | -15.261719 | 0.150263 | 0.157400 | -4.478848 | 2786 |
| O2 | -32.000687 | 0.177770 | 0.192400 | -9.180349 | 4817 |
| OH | -16.572557 | 0.158797 | 0.170200 | -7.155712 | 390 |
| P2 | -13.076194 | 0.157610 | 0.186000 | -17.814920 | 75540 |
| PH2 | -7.690653 | 0.226758 | 0.244000 | -10.819833 | 3474 |
| PH3 | -8.323782 | 0.357585 | 0.389000 | -19.713400 | 6617 |
| S2 | -20.355983 | 0.148751 | 0.164000 | -9.568719 | 85880 |
| SO | -26.191085 | 0.176011 | 0.200700 | -15.492522 | 19128 |
| SO2 | -42.269696 | 0.343164 | 0.414400 | -44.701439 | 107472 |
| Si2 | -7.617058 | 0.105918 | 0.121000 | -9.464121 | 34421 |
| Si2H6 | -11.328621 | 0.803669 | 0.849000 | -28.445369 | 883316 |
| SiH2_1A1 | -4.985178 | 0.225004 | 0.243000 | -11.292633 | 1591 |
| SiH2_3B1 | -4.960320 | 0.200146 | 0.210000 | -6.183349 | 1938 |
| SiH3 | -5.604066 | 0.341591 | 0.363000 | -13.434514 | 5032 |
| SiH4 | -6.251949 | 0.487171 | 0.515000 | -17.462796 | 10672 |
| SiO | -19.943845 | 0.276817 | 0.306700 | -18.752034 | 13428 |
|---------+------------+----------+----------+------------+--------|
| | | 13.42 | -13.27 | 7.36 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC without Jastrow
| | Total E | | Delta E | | Ref | Error | |
| | Hartree | | Hartree | | | kcal/mol | |
|---------+------------+----------+----------+----------+----------+------------+----------|
| Be | -1.005406 | 0.000017 | | | | | |
| C | -5.422342 | 0.000063 | | | | | |
| Cl | -14.949570 | 0.000204 | | | | | |
| F | -24.189415 | 0.000167 | | | | | |
| H | -0.499999 | 0.000005 | | | | | |
| Li | -0.196328 | 0.000003 | | | | | |
| N | -9.789680 | 0.000095 | | | | | |
| Na | -0.182036 | 0.000014 | | | | | |
| O | -15.893123 | 0.000111 | | | | | |
| P | -6.467707 | 0.000099 | | | | | |
| S | -10.115998 | 0.000111 | | | | | |
| Si | -3.762843 | 0.000063 | | | | | |
|---------+------------+----------+----------+----------+----------+------------+----------|
| C2H2 | -12.489387 | 0.000584 | 0.644707 | 0.000598 | 0.642400 | 1.447461 | 0.375096 |
| C2H4 | -13.744276 | 0.000668 | 0.899598 | 0.000680 | 0.899000 | 0.375397 | 0.426707 |
| C2H6 | -14.983379 | 0.000770 | 1.138704 | 0.000781 | 1.136900 | 1.132012 | 0.490174 |
| CH | -6.056035 | 0.000123 | 0.133695 | 0.000138 | 0.133900 | -0.128821 | 0.086597 |
| CH2_1A1 | -6.711544 | 0.000153 | 0.289206 | 0.000166 | 0.288900 | 0.191740 | 0.103885 |
| CH2_3B1 | -6.727420 | 0.000148 | 0.305081 | 0.000161 | 0.304100 | 0.615573 | 0.101272 |
| CH3 | -7.413712 | 0.000178 | 0.491374 | 0.000189 | 0.490800 | 0.360485 | 0.118741 |
| CH3Cl | -22.500012 | 0.000804 | 0.628105 | 0.000832 | 0.631000 | -1.816343 | 0.521865 |
| CH4 | -8.094266 | 0.000377 | 0.671930 | 0.000383 | 0.670300 | 1.022969 | 0.240071 |
| CN | -15.498861 | 0.000499 | 0.286838 | 0.000512 | 0.288800 | -1.230928 | 0.321064 |
| CO | -21.728832 | 0.000552 | 0.413368 | 0.000567 | 0.413700 | -0.208251 | 0.355755 |
| CO2 | -37.823698 | 0.002088 | 0.615111 | 0.002100 | 0.621400 | -3.946408 | 1.318062 |
| CS | -15.809147 | 0.000535 | 0.270807 | 0.000550 | 0.274000 | -2.003750 | 0.345077 |
| Cl2 | -29.987308 | 0.000616 | 0.088169 | 0.000739 | 0.094000 | -3.659111 | 0.463821 |
| ClF | -39.228251 | 0.000660 | 0.089267 | 0.000710 | 0.100100 | -6.797869 | 0.445649 |
| ClO | -30.935265 | 0.000858 | 0.092573 | 0.000889 | 0.104700 | -7.609892 | 0.557853 |
| F2 | -48.428399 | 0.000642 | 0.049569 | 0.000723 | 0.062200 | -7.926000 | 0.453759 |
| H2CO | -22.911646 | 0.000726 | 0.596184 | 0.000738 | 0.596700 | -0.323590 | 0.462837 |
| H2O | -17.253919 | 0.000265 | 0.360799 | 0.000287 | 0.371900 | -6.965878 | 0.180187 |
| H2O2 | -33.196548 | 0.000794 | 0.410305 | 0.000824 | 0.429400 | -11.982031 | 0.517188 |
| H2S | -11.403524 | 0.000238 | 0.287529 | 0.000263 | 0.292000 | -2.805611 | 0.165046 |
| H3COH | -24.125546 | 0.001003 | 0.810087 | 0.001011 | 0.818700 | -5.404473 | 0.634540 |
| H3CSH | -18.285601 | 0.002003 | 0.747267 | 0.002008 | 0.757000 | -6.107676 | 1.259772 |
| HCN | -16.208970 | 0.000638 | 0.496949 | 0.000648 | 0.496900 | 0.031033 | 0.406775 |
| HCO | -22.257070 | 0.000696 | 0.441607 | 0.000708 | 0.444700 | -1.940837 | 0.444111 |
| HCl | -15.619019 | 0.000217 | 0.169451 | 0.000298 | 0.171000 | -0.971823 | 0.186909 |
| HF | -24.905752 | 0.000192 | 0.216339 | 0.000254 | 0.226100 | -6.125233 | 0.159473 |
| HOCl | -31.593260 | 0.002090 | 0.250570 | 0.002103 | 0.264700 | -8.866896 | 1.319641 |
| Li2 | -0.431228 | 0.000009 | 0.038572 | 0.000011 | 0.038900 | -0.206025 | 0.006888 |
| LiF | -24.604326 | 0.000217 | 0.218583 | 0.000273 | 0.222000 | -2.143995 | 0.171552 |
| LiH | -0.787889 | 0.000024 | 0.091562 | 0.000024 | 0.092430 | -0.544720 | 0.015313 |
| N2 | -19.936415 | 0.000503 | 0.357054 | 0.000538 | 0.364600 | -4.735054 | 0.337403 |
| N2H4 | -22.257362 | 0.001121 | 0.678007 | 0.001137 | 0.699600 | -13.549683 | 0.713532 |
| NH | -10.418918 | 0.000163 | 0.129239 | 0.000189 | 0.133500 | -2.673761 | 0.118450 |
| NH2 | -11.074786 | 0.000206 | 0.285108 | 0.000227 | 0.290400 | -3.320737 | 0.142472 |
| NH3 | -11.756541 | 0.000361 | 0.466865 | 0.000373 | 0.475500 | -5.418711 | 0.234145 |
| NO | -25.917223 | 0.000491 | 0.234420 | 0.000512 | 0.244500 | -6.325104 | 0.321302 |
| Na2 | -0.391012 | 0.000017 | 0.026941 | 0.000032 | 0.026800 | 0.088254 | 0.020137 |
| O2 | -31.970735 | 0.000656 | 0.184490 | 0.000692 | 0.192400 | -4.963399 | 0.434474 |
| OH | -16.558893 | 0.000192 | 0.165772 | 0.000221 | 0.170200 | -2.778520 | 0.138972 |
| P2 | -13.112334 | 0.000859 | 0.176919 | 0.000881 | 0.186000 | -5.698304 | 0.552833 |
| PH2 | -7.708514 | 0.000219 | 0.240809 | 0.000241 | 0.244000 | -2.002124 | 0.151062 |
| PH3 | -8.346294 | 0.000373 | 0.378591 | 0.000386 | 0.389000 | -6.531782 | 0.242174 |
| S2 | -20.389230 | 0.000632 | 0.157233 | 0.000670 | 0.164000 | -4.246237 | 0.420170 |
| SO | -26.198185 | 0.000889 | 0.189064 | 0.000903 | 0.200700 | -7.301947 | 0.566667 |
| SO2 | -42.282962 | 0.001156 | 0.380718 | 0.001182 | 0.414400 | -21.135723 | 0.741873 |
| Si2 | -7.640306 | 0.000661 | 0.114620 | 0.000673 | 0.121000 | -4.003500 | 0.422277 |
| Si2H6 | -11.363397 | 0.002095 | 0.837720 | 0.002099 | 0.849000 | -7.078147 | 1.317096 |
| SiH2_1A1 | -5.005431 | 0.000169 | 0.242591 | 0.000180 | 0.243000 | -0.256638 | 0.113068 |
| SiH2_3B1 | -4.973161 | 0.000149 | 0.210321 | 0.000162 | 0.210000 | 0.201243 | 0.101394 |
| SiH3 | -5.622956 | 0.000215 | 0.360118 | 0.000224 | 0.363000 | -1.808494 | 0.140653 |
| SiH4 | -6.276317 | 0.000343 | 0.513480 | 0.000349 | 0.515000 | -0.953891 | 0.219015 |
| SiO | -19.954192 | 0.000771 | 0.298227 | 0.000781 | 0.306700 | -5.317083 | 0.490341 |
|---------+------------+----------+----------+----------+----------+------------+----------|
| | | | | | | 3.87 | 0.50 |
#+TBLFM: @>$7='(org-sbe "madformula" (data @5$7..@>>$7) ) :: @>$8='(org-sbe "maderrformula" (data @5$8..@>>$8) )
**** DMC
#+NAME: dz-dmc-0.50
| | Total E | | Delta E | | Ref | Error | | Ndet |
| | Hartree | | Hartree | | | kcal/mol | | |
|---------+------------+----------+----------+----------+----------+------------+----------+--------|
| Be | -1.005733 | 0.000012 | 0.000000 | 0.000018 | | | | 11 |
| C | -5.422446 | 0.000070 | 0.000000 | 0.000100 | | | | 64 |
| Cl | -14.949689 | 0.000087 | 0.000000 | 0.000122 | | | | 461 |
| F | -24.188815 | 0.000114 | 0.000000 | 0.000161 | | | | 47 |
| H | -0.499996 | 0.000007 | 0.000000 | 0.000010 | | | | 1 |
| Li | -0.196329 | 0.000004 | 0.000000 | 0.000006 | | | | 1 |
| N | -9.789676 | 0.000079 | 0.000000 | 0.000112 | | | | 55 |
| Na | -0.182136 | 0.000008 | 0.000000 | 0.000011 | | | | 1 |
| O | -15.893286 | 0.000064 | 0.000000 | 0.000091 | | | | 107 |
| P | -6.467896 | 0.000077 | 0.000000 | 0.000109 | | | | 159 |
| S | -10.115941 | 0.000074 | 0.000000 | 0.000104 | | | | 243 |
| Si | -3.762860 | 0.000047 | 0.000000 | 0.000066 | | | | 129 |
|---------+------------+----------+----------+----------+----------+------------+----------+--------|
| BeH | -1.580444 | 0.000075 | 0.074715 | 0.000076 | 0.079400 | -2.939685 | 0.047668 | 123 |
| C2H2 | -12.491168 | 0.000383 | 0.646285 | 0.000408 | 0.642400 | 2.437853 | 0.256215 | 9728 |
| C2H4 | -13.744599 | 0.000444 | 0.899725 | 0.000466 | 0.899000 | 0.455073 | 0.292715 | 23964 |
| C2H6 | -14.983176 | 0.000623 | 1.138311 | 0.000640 | 1.136900 | 0.885531 | 0.401733 | 91784 |
| CH | -6.056197 | 0.000083 | 0.133756 | 0.000109 | 0.133900 | -0.090328 | 0.068429 | 563 |
| CH2_1A1 | -6.711440 | 0.000139 | 0.289004 | 0.000157 | 0.288900 | 0.064962 | 0.098268 | 835 |
| CH2_3B1 | -6.727391 | 0.000143 | 0.304954 | 0.000160 | 0.304100 | 0.535803 | 0.100646 | 1246 |
| CH3 | -7.413712 | 0.000127 | 0.491280 | 0.000147 | 0.490800 | 0.301192 | 0.092205 | 1237 |
| CH3Cl | -22.499891 | 0.000809 | 0.627770 | 0.000817 | 0.631000 | -2.026712 | 0.512703 | 49757 |
| CH4 | -8.093698 | 0.000266 | 0.671270 | 0.000276 | 0.670300 | 0.608405 | 0.173340 | 6627 |
| CN | -15.497971 | 0.000251 | 0.285850 | 0.000272 | 0.288800 | -1.851206 | 0.170797 | 11031 |
| CO | -21.728259 | 0.000361 | 0.412527 | 0.000373 | 0.413700 | -0.735981 | 0.234286 | 5235 |
| CO2 | -37.827070 | 0.001289 | 0.618053 | 0.001297 | 0.621400 | -2.100522 | 0.813791 | 36066 |
| CS | -15.807213 | 0.000434 | 0.268826 | 0.000446 | 0.274000 | -3.246664 | 0.279694 | 24821 |
| Cl2 | -29.987339 | 0.000995 | 0.087961 | 0.001010 | 0.094000 | -3.789372 | 0.633674 | 12189 |
| ClF | -39.225577 | 0.000775 | 0.087074 | 0.000788 | 0.100100 | -8.174187 | 0.494734 | 13567 |
| ClO | -30.934845 | 0.000499 | 0.091871 | 0.000511 | 0.104700 | -8.050392 | 0.320560 | 12137 |
| F2 | -48.424857 | 0.000827 | 0.047228 | 0.000857 | 0.062200 | -9.394885 | 0.538069 | 1743 |
| H2CO | -22.912166 | 0.000600 | 0.596443 | 0.000608 | 0.596700 | -0.161127 | 0.381237 | 11335 |
| H2O | -17.254291 | 0.000159 | 0.361014 | 0.000172 | 0.371900 | -6.831237 | 0.107807 | 942 |
| H2O2 | -33.194557 | 0.000902 | 0.407994 | 0.000911 | 0.429400 | -13.432729 | 0.571901 | 30977 |
| H2S | -11.403508 | 0.000134 | 0.287577 | 0.000153 | 0.292000 | -2.775745 | 0.096133 | 2744 |
| H3COH | -24.128469 | 0.000930 | 0.812755 | 0.000936 | 0.818700 | -3.730536 | 0.587170 | 55296 |
| H3CSH | -18.289905 | 0.000597 | 0.751536 | 0.000607 | 0.757000 | -3.428421 | 0.380612 | 212599 |
| HCN | -16.209503 | 0.000366 | 0.497386 | 0.000382 | 0.496900 | 0.305097 | 0.239420 | 6486 |
| HCO | -22.256546 | 0.000832 | 0.440819 | 0.000838 | 0.444700 | -2.435571 | 0.525542 | 26176 |
| HCl | -15.618568 | 0.000238 | 0.168884 | 0.000254 | 0.171000 | -1.328058 | 0.159119 | 1519 |
| HF | -24.905370 | 0.000150 | 0.216560 | 0.000189 | 0.226100 | -5.986662 | 0.118575 | 278 |
| HOCl | -31.594348 | 0.000910 | 0.251377 | 0.000916 | 0.264700 | -8.360050 | 0.574866 | 25000 |
| Li2 | -0.431297 | 0.000010 | 0.038639 | 0.000013 | 0.038900 | -0.163614 | 0.008245 | 11 |
| LiF | -24.603053 | 0.000218 | 0.217910 | 0.000246 | 0.222000 | -2.566504 | 0.154164 | 402 |
| LiH | -0.788039 | 0.000016 | 0.091715 | 0.000018 | 0.092430 | -0.448955 | 0.011471 | 22 |
| N2 | -19.937268 | 0.000408 | 0.357917 | 0.000438 | 0.364600 | -4.193666 | 0.274874 | 3285 |
| N2H4 | -22.257960 | 0.000674 | 0.678627 | 0.000693 | 0.699600 | -13.161038 | 0.434984 | 96249 |
| NH | -10.418942 | 0.000074 | 0.129271 | 0.000109 | 0.133500 | -2.654017 | 0.068307 | 571 |
| NH2 | -11.074886 | 0.000191 | 0.285219 | 0.000208 | 0.290400 | -3.250996 | 0.130244 | 1273 |
| NH3 | -11.756232 | 0.000175 | 0.466569 | 0.000194 | 0.475500 | -5.604107 | 0.121553 | 2702 |
| NO | -25.917289 | 0.000376 | 0.234327 | 0.000389 | 0.244500 | -6.383679 | 0.244231 | 5339 |
| Na2 | -0.391068 | 0.000018 | 0.026796 | 0.000024 | 0.026800 | -0.002375 | 0.015169 | 20 |
| NaCl | -15.287768 | 0.000707 | 0.155943 | 0.000712 | 0.157400 | -0.913983 | 0.446988 | 2786 |
| O2 | -31.967636 | 0.000316 | 0.181064 | 0.000341 | 0.192400 | -7.113317 | 0.214147 | 4817 |
| OH | -16.558421 | 0.000179 | 0.165140 | 0.000190 | 0.170200 | -3.175345 | 0.119481 | 390 |
| P2 | -13.111447 | 0.000355 | 0.175656 | 0.000388 | 0.186000 | -6.491089 | 0.243166 | 75540 |
| PH2 | -7.708803 | 0.000129 | 0.240916 | 0.000151 | 0.244000 | -1.935333 | 0.094517 | 3474 |
| PH3 | -8.346383 | 0.000201 | 0.378501 | 0.000216 | 0.389000 | -6.588341 | 0.135759 | 6617 |
| S2 | -20.388289 | 0.000574 | 0.156408 | 0.000593 | 0.164000 | -4.764171 | 0.371910 | 85880 |
| SO | -26.197448 | 0.000375 | 0.188221 | 0.000388 | 0.200700 | -7.830742 | 0.243477 | 19128 |
| SO2 | -42.287379 | 0.001756 | 0.384866 | 0.001762 | 0.414400 | -18.532671 | 1.105766 | 107472 |
| Si2 | -7.641189 | 0.000167 | 0.115469 | 0.000191 | 0.121000 | -3.470581 | 0.120134 | 34421 |
| Si2H6 | -11.371029 | 0.000691 | 0.845336 | 0.000699 | 0.849000 | -2.299207 | 0.438595 | 883316 |
| SiH2_1A1 | -5.005695 | 0.000197 | 0.242843 | 0.000202 | 0.243000 | -0.098230 | 0.127067 | 1591 |
| SiH2_3B1 | -4.973133 | 0.000133 | 0.210282 | 0.000142 | 0.210000 | 0.176718 | 0.088899 | 1938 |
| SiH3 | -5.623565 | 0.000149 | 0.360719 | 0.000157 | 0.363000 | -1.431566 | 0.098601 | 5032 |
| SiH4 | -6.276686 | 0.000227 | 0.513844 | 0.000233 | 0.515000 | -0.725479 | 0.146503 | 10672 |
| SiO | -19.954139 | 0.000398 | 0.297994 | 0.000406 | 0.306700 | -5.463401 | 0.254487 | 13428 |
|---------+------------+----------+----------+----------+----------+------------+----------+--------|
| | 3.74 | 0.35 | -3.53 | 4.03 | 0.23 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1$
**** CIPSI
#+NAME: dz-cipsi-1.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+----------|
| Be | -0.997611 | | | | 10 |
| C | -5.420006 | | | | 154 |
| Cl | -14.923700 | | | | 899 |
| F | -24.213585 | | | | 294 |
| H | -0.500915 | | | | 1 |
| Li | -0.195702 | | | | 1 |
| N | -9.797528 | | | | 118 |
| Na | -0.174255 | | | | 1 |
| O | -15.905353 | | | | 291 |
| P | -6.454169 | | | | 922 |
| S | -10.093127 | | | | 1126 |
| Si | -3.752249 | | | | 282 |
|---------+------------+----------+----------+------------+----------|
| BeH | -1.556367 | 0.057841 | 0.079400 | -13.528518 | 226 |
| C2H2 | -12.457919 | 0.616077 | 0.642400 | -16.518135 | 421452 |
| C2H4 | -13.713486 | 0.869814 | 0.899000 | -18.314755 | 3346530 |
| C2H6 | -14.952030 | 1.106528 | 1.136900 | -19.058990 | 10660003 |
| CH | -6.045004 | 0.124083 | 0.133900 | -6.160218 | 1872 |
| CH2_1A1 | -6.693312 | 0.271476 | 0.288900 | -10.933550 | 5231 |
| CH2_3B1 | -6.719689 | 0.297853 | 0.304100 | -3.920345 | 4908 |
| CH3 | -7.400261 | 0.477510 | 0.490800 | -8.339553 | 26089 |
| CH3Cl | -22.453467 | 0.607016 | 0.631000 | -15.050240 | 15279804 |
| CH4 | -8.076058 | 0.652392 | 0.670300 | -11.237459 | 240746 |
| CN | -15.473830 | 0.256296 | 0.288800 | -20.396634 | 307534 |
| CO | -21.713154 | 0.387795 | 0.413700 | -16.255639 | 220058 |
| CO2 | -37.813665 | 0.582952 | 0.621400 | -24.126272 | 10685733 |
| CS | -15.764849 | 0.251716 | 0.274000 | -13.983341 | 820828 |
| Cl2 | -29.919364 | 0.071964 | 0.094000 | -13.828005 | 3156929 |
| ClF | -39.205454 | 0.068169 | 0.100100 | -20.037087 | 651358 |
| ClO | -30.900816 | 0.071763 | 0.104700 | -20.668394 | 1296735 |
| F2 | -48.446924 | 0.019754 | 0.062200 | -26.635101 | 11952 |
| H2CO | -22.894495 | 0.567305 | 0.596700 | -18.445616 | 1357368 |
| H2O | -17.252592 | 0.345408 | 0.371900 | -16.623808 | 6136 |
| H2O2 | -33.189337 | 0.376800 | 0.429400 | -33.006901 | 3209365 |
| H2S | -11.368755 | 0.273798 | 0.292000 | -11.421902 | 25567 |
| H3COH | -24.111642 | 0.782622 | 0.818700 | -22.639454 | 16305839 |
| H3CSH | -18.240701 | 0.723907 | 0.757000 | -20.765895 | 14045275 |
| HCN | -16.182131 | 0.463682 | 0.496900 | -20.844565 | 389108 |
| HCO | -22.244739 | 0.418464 | 0.444700 | -16.463310 | 1449983 |
| HCl | -15.586327 | 0.161712 | 0.171000 | -5.828337 | 12311 |
| HF | -24.920723 | 0.206223 | 0.226100 | -12.472870 | 1645 |
| HOCl | -31.558798 | 0.228829 | 0.264700 | -22.509312 | 3157539 |
| Li2 | -0.428740 | 0.037335 | 0.038900 | -0.981967 | 20 |
| LiF | -24.610269 | 0.200982 | 0.222000 | -13.189002 | 3309 |
| LiH | -0.780131 | 0.083514 | 0.092430 | -5.595016 | 40 |
| N2 | -19.913827 | 0.318770 | 0.364600 | -28.758523 | 94334 |
| N2H4 | -22.236209 | 0.637492 | 0.699600 | -38.973422 | 12661156 |
| NH | -10.417551 | 0.119108 | 0.133500 | -9.031300 | 2294 |
| NH2 | -11.066479 | 0.267120 | 0.290400 | -14.608265 | 7349 |
| NH3 | -11.743572 | 0.443298 | 0.475500 | -20.207041 | 51847 |
| NO | -25.910441 | 0.207560 | 0.244500 | -23.180446 | 166433 |
| Na2 | -0.381829 | 0.033319 | 0.026800 | 4.090576 | 42 |
| NaCl | -15.245074 | 0.147118 | 0.157400 | -6.451842 | 17678 |
| O2 | -31.972406 | 0.161699 | 0.192400 | -19.265204 | 262685 |
| OH | -16.563117 | 0.156848 | 0.170200 | -8.378547 | 2457 |
| P2 | -13.062640 | 0.154302 | 0.186000 | -19.890610 | 1508743 |
| PH2 | -7.680727 | 0.224728 | 0.244000 | -12.093475 | 29240 |
| PH3 | -8.313051 | 0.356137 | 0.389000 | -20.622042 | 131147 |
| S2 | -20.329036 | 0.142783 | 0.164000 | -13.313735 | 10826625 |
| SO | -26.163354 | 0.164874 | 0.200700 | -22.481123 | 2404537 |
| SO2 | -42.224462 | 0.320629 | 0.414400 | -58.842540 | 10814232 |
| Si2 | -7.607564 | 0.103066 | 0.121000 | -11.253977 | 661498 |
| Si2H6 | -11.308470 | 0.798481 | 0.849000 | -31.701140 | 15020870 |
| SiH2_1A1 | -4.979344 | 0.225265 | 0.243000 | -11.129170 | 6400 |
| SiH2_3B1 | -4.951475 | 0.197395 | 0.210000 | -7.909620 | 9059 |
| SiH3 | -5.594545 | 0.339551 | 0.363000 | -14.714664 | 57778 |
| SiH4 | -6.242349 | 0.486439 | 0.515000 | -17.922019 | 400063 |
| SiO | -19.925622 | 0.268019 | 0.306700 | -24.272418 | 226347 |
|---------+------------+----------+----------+------------+----------|
| | | 17.07 | -16.92 | 9.83 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: dz-dmc-1.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| Be | -1.007952 | 0.000012 | 0.000000 | 0.000016 | | | | 10 |
| C | -5.429616 | 0.000033 | 0.000000 | 0.000047 | | | | 154 |
| Cl | -14.957911 | 0.000125 | 0.000000 | 0.000176 | | | | 899 |
| F | -24.189708 | 0.000075 | 0.000000 | 0.000106 | | | | 294 |
| H | -0.499984 | 0.000020 | 0.000000 | 0.000029 | | | | 1 |
| Li | -0.196348 | 0.000010 | 0.000000 | 0.000014 | | | | 1 |
| N | -9.794416 | 0.000037 | 0.000000 | 0.000052 | | | | 118 |
| Na | -0.182103 | 0.000035 | 0.000000 | 0.000050 | | | | 1 |
| O | -15.895865 | 0.000051 | 0.000000 | 0.000073 | | | | 291 |
| P | -6.471376 | 0.000041 | 0.000000 | 0.000059 | | | | 922 |
| S | -10.122606 | 0.000038 | 0.000000 | 0.000054 | | | | 1126 |
| Si | -3.764793 | 0.000031 | 0.000000 | 0.000044 | | | | 282 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| BeH | -1.579250 | 0.000937 | 0.071314 | 0.000938 | 0.079400 | -5.073920 | 0.588319 | 226 |
| C2H2 | -12.495100 | 0.000288 | 0.635900 | 0.000299 | 0.642400 | -4.078810 | 0.187395 | 421452 |
| C2H4 | -13.747119 | 0.000376 | 0.887951 | 0.000390 | 0.899000 | -6.933248 | 0.244737 | 3346530 |
| C2H6 | -14.983968 | 0.000387 | 1.124832 | 0.000412 | 1.136900 | -7.572876 | 0.258278 | 10660003 |
| CH | -6.062427 | 0.000050 | 0.132827 | 0.000063 | 0.133900 | -0.673247 | 0.039828 | 1872 |
| CH2_1A1 | -6.716232 | 0.000080 | 0.286648 | 0.000095 | 0.288900 | -1.413201 | 0.059843 | 5231 |
| CH2_3B1 | -6.730644 | 0.000050 | 0.301060 | 0.000073 | 0.304100 | -1.907457 | 0.045621 | 4908 |
| CH3 | -7.416019 | 0.000097 | 0.486452 | 0.000119 | 0.490800 | -2.728686 | 0.074912 | 26089 |
| CH3Cl | -22.506947 | 0.000469 | 0.619468 | 0.000490 | 0.631000 | -7.236181 | 0.307687 | 15279804 |
| CH4 | -8.094626 | 0.000167 | 0.665074 | 0.000189 | 0.670300 | -3.279230 | 0.118604 | 240746 |
| CN | -15.506720 | 0.000166 | 0.282687 | 0.000173 | 0.288800 | -3.835671 | 0.108781 | 307534 |
| CO | -21.735455 | 0.000243 | 0.409974 | 0.000251 | 0.413700 | -2.338246 | 0.157395 | 220058 |
| CO2 | -37.832076 | 0.000396 | 0.610730 | 0.000411 | 0.621400 | -6.695775 | 0.257696 | 10685733 |
| CS | -15.817846 | 0.000198 | 0.265623 | 0.000204 | 0.274000 | -5.256451 | 0.128007 | 820828 |
| Cl2 | -30.001476 | 0.000279 | 0.085654 | 0.000374 | 0.094000 | -5.236972 | 0.234638 | 3156929 |
| ClF | -39.236680 | 0.000338 | 0.089061 | 0.000368 | 0.100100 | -6.927034 | 0.230722 | 651358 |
| ClO | -30.944753 | 0.000369 | 0.090977 | 0.000392 | 0.104700 | -8.611150 | 0.246245 | 1296735 |
| F2 | -48.432448 | 0.000286 | 0.053032 | 0.000323 | 0.062200 | -5.753097 | 0.202704 | 11952 |
| H2CO | -22.915252 | 0.000192 | 0.589803 | 0.000205 | 0.596700 | -4.327743 | 0.128890 | 1357368 |
| H2O | -17.256766 | 0.000110 | 0.360933 | 0.000128 | 0.371900 | -6.881910 | 0.080388 | 6136 |
| H2O2 | -33.200709 | 0.000311 | 0.409011 | 0.000330 | 0.429400 | -12.794101 | 0.206847 | 3209365 |
| H2S | -11.408516 | 0.000100 | 0.285942 | 0.000114 | 0.292000 | -3.801350 | 0.071679 | 25567 |
| H3COH | -24.129361 | 0.000463 | 0.803944 | 0.000474 | 0.818700 | -9.259382 | 0.297326 | 16305839 |
| H3CSH | -18.292741 | 0.000585 | 0.740583 | 0.000593 | 0.757000 | -10.301775 | 0.372099 | 14045275 |
| HCN | -16.216052 | 0.000231 | 0.492035 | 0.000237 | 0.496900 | -3.052581 | 0.148532 | 389108 |
| HCO | -22.261888 | 0.000225 | 0.436423 | 0.000234 | 0.444700 | -5.193910 | 0.146899 | 1449983 |
| HCl | -15.626549 | 0.000119 | 0.168654 | 0.000174 | 0.171000 | -1.472062 | 0.108954 | 12311 |
| HF | -24.905824 | 0.000099 | 0.216132 | 0.000126 | 0.226100 | -6.255026 | 0.078940 | 1645 |
| HOCl | -31.604341 | 0.000308 | 0.250581 | 0.000337 | 0.264700 | -8.859634 | 0.211492 | 3157539 |
| Li2 | -0.431398 | 0.000031 | 0.038703 | 0.000036 | 0.038900 | -0.123788 | 0.022885 | 20 |
| LiF | -24.603937 | 0.000137 | 0.217881 | 0.000157 | 0.222000 | -2.584419 | 0.098261 | 3309 |
| LiH | -0.788135 | 0.000087 | 0.091803 | 0.000090 | 0.092430 | -0.393157 | 0.056186 | 40 |
| N2 | -19.946437 | 0.000151 | 0.357604 | 0.000168 | 0.364600 | -4.390231 | 0.105473 | 94334 |
| N2H4 | -22.262196 | 0.000381 | 0.673428 | 0.000397 | 0.699600 | -16.423183 | 0.248963 | 12661156 |
| NH | -10.423223 | 0.000077 | 0.128822 | 0.000088 | 0.133500 | -2.935192 | 0.054979 | 2294 |
| NH2 | -11.078569 | 0.000103 | 0.284184 | 0.000117 | 0.290400 | -3.900303 | 0.073179 | 7349 |
| NH3 | -11.759048 | 0.000121 | 0.464680 | 0.000141 | 0.475500 | -6.789571 | 0.088331 | 51847 |
| NO | -25.925592 | 0.000208 | 0.235310 | 0.000218 | 0.244500 | -5.766639 | 0.136562 | 166433 |
| Na2 | -0.390904 | 0.000057 | 0.026697 | 0.000091 | 0.026800 | -0.064714 | 0.056867 | 42 |
| NaCl | -15.310258 | 0.002606 | 0.169527 | 0.002612 | 0.157400 | 7.609589 | 1.638873 | 17678 |
| O2 | -31.973912 | 0.000191 | 0.182182 | 0.000216 | 0.192400 | -6.411694 | 0.135831 | 262685 |
| OH | -16.561089 | 0.000058 | 0.165240 | 0.000080 | 0.170200 | -3.112470 | 0.050254 | 2457 |
| P2 | -13.117472 | 0.000189 | 0.174720 | 0.000206 | 0.186000 | -7.078404 | 0.129253 | 1508743 |
| PH2 | -7.711387 | 0.000127 | 0.240043 | 0.000139 | 0.244000 | -2.483052 | 0.087424 | 29240 |
| PH3 | -8.348832 | 0.000143 | 0.377504 | 0.000161 | 0.389000 | -7.213913 | 0.101076 | 131147 |
| S2 | -20.397667 | 0.000319 | 0.152454 | 0.000328 | 0.164000 | -7.244941 | 0.205832 | 10826625 |
| SO | -26.203776 | 0.000374 | 0.185305 | 0.000380 | 0.200700 | -9.660639 | 0.238324 | 2404537 |
| SO2 | -42.288884 | 0.000689 | 0.374548 | 0.000698 | 0.414400 | -25.007461 | 0.437763 | 10814232 |
| Si2 | -7.643378 | 0.000110 | 0.113792 | 0.000126 | 0.121000 | -4.522825 | 0.079298 | 661498 |
| Si2H6 | -11.370504 | 0.000324 | 0.841015 | 0.000352 | 0.849000 | -5.010801 | 0.221094 | 15020870 |
| SiH2_1A1 | -5.006307 | 0.000137 | 0.241547 | 0.000147 | 0.243000 | -0.912005 | 0.091954 | 6400 |
| SiH2_3B1 | -4.974273 | 0.000090 | 0.209513 | 0.000104 | 0.210000 | -0.305909 | 0.065277 | 9059 |
| SiH3 | -5.623608 | 0.000133 | 0.358863 | 0.000150 | 0.363000 | -2.595888 | 0.093884 | 57778 |
| SiH4 | -6.276709 | 0.000144 | 0.511981 | 0.000169 | 0.515000 | -1.894611 | 0.105885 | 400063 |
| SiO | -19.958150 | 0.000200 | 0.297492 | 0.000209 | 0.306700 | -5.778347 | 0.131036 | 226347 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| | 5.42 | 0.29 | -5.14 | 4.55 | 0.03 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=2$
**** CIPSI
#+NAME: dz-cipsi-2.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+----------|
| Be | -0.999854 | | | | 20 |
| C | -5.413512 | | | | 256 |
| Cl | -14.901401 | | | | 8768 |
| F | -24.167662 | | | | 1123 |
| H | -0.499395 | | | | 1 |
| Li | -0.195618 | | | | 1 |
| N | -9.777229 | | | | 266 |
| Na | -0.174229 | | | | 1 |
| O | -15.870717 | | | | 720 |
| P | -6.447040 | | | | 883 |
| S | -10.077913 | | | | 2158 |
| Si | -3.749526 | | | | 280 |
|---------+------------+----------+----------+------------+----------|
| BeH | -1.554506 | 0.055256 | 0.079400 | -15.150357 | 233 |
| C2H2 | -12.433274 | 0.607460 | 0.642400 | -21.924928 | 3536175 |
| C2H4 | -13.683977 | 0.859374 | 0.899000 | -24.865914 | 13804446 |
| C2H6 | -14.914667 | 1.091274 | 1.136900 | -28.630770 | 16695116 |
| CH | -6.037897 | 0.124990 | 0.133900 | -5.590831 | 4503 |
| CH2_1A1 | -6.684705 | 0.272403 | 0.288900 | -10.351722 | 17886 |
| CH2_3B1 | -6.705455 | 0.293153 | 0.304100 | -6.869315 | 26137 |
| CH3 | -7.383862 | 0.472165 | 0.490800 | -11.693713 | 112935 |
| CH3Cl | -22.409537 | 0.596440 | 0.631000 | -21.687030 | 14187344 |
| CH4 | -8.058090 | 0.646999 | 0.670300 | -14.621734 | 933450 |
| CN | -15.449131 | 0.258390 | 0.288800 | -19.082857 | 2523139 |
| CO | -21.673981 | 0.389753 | 0.413700 | -15.027166 | 1727262 |
| CO2 | -37.729909 | 0.574964 | 0.621400 | -29.139318 | 11725352 |
| CS | -15.741053 | 0.249628 | 0.274000 | -15.293519 | 2658739 |
| Cl2 | -29.869270 | 0.066468 | 0.094000 | -17.276448 | 12609257 |
| ClF | -39.135766 | 0.066703 | 0.100100 | -20.957172 | 8476468 |
| ClO | -30.840649 | 0.068532 | 0.104700 | -22.696037 | 10858948 |
| F2 | -48.359393 | 0.024069 | 0.062200 | -23.927351 | 829438 |
| H2CO | -22.846626 | 0.563608 | 0.596700 | -20.765489 | 11090595 |
| H2O | -17.214580 | 0.345073 | 0.371900 | -16.834113 | 56247 |
| H2O2 | -33.116702 | 0.376479 | 0.429400 | -33.208509 | 19069926 |
| H2S | -11.348502 | 0.271799 | 0.292000 | -12.676342 | 172622 |
| H3COH | -24.054291 | 0.772483 | 0.818700 | -29.001580 | 16136860 |
| H3CSH | -18.200479 | 0.711474 | 0.757000 | -28.567865 | 15981581 |
| HCN | -16.152086 | 0.461950 | 0.496900 | -21.931353 | 2869501 |
| HCO | -22.198603 | 0.414979 | 0.444700 | -18.650186 | 11562913 |
| HCl | -15.561027 | 0.160232 | 0.171000 | -6.757310 | 54420 |
| HF | -24.873708 | 0.206651 | 0.226100 | -12.204142 | 6415 |
| HOCl | -31.496904 | 0.225391 | 0.264700 | -24.666646 | 11555771 |
| Li2 | -0.428808 | 0.037571 | 0.038900 | -0.833690 | 20 |
| LiF | -24.561304 | 0.198023 | 0.222000 | -15.045700 | 13192 |
| LiH | -0.779366 | 0.084353 | 0.092430 | -5.068416 | 43 |
| N2 | -19.879071 | 0.324613 | 0.364600 | -25.092550 | 823923 |
| N2H4 | -22.180728 | 0.628690 | 0.699600 | -44.496999 | 13428368 |
| NH | -10.395784 | 0.119159 | 0.133500 | -8.998841 | 11091 |
| NH2 | -11.042375 | 0.266355 | 0.290400 | -15.088215 | 64006 |
| NH3 | -11.716428 | 0.441014 | 0.475500 | -21.640457 | 209417 |
| NO | -25.857693 | 0.209747 | 0.244500 | -21.807872 | 4653596 |
| Na2 | -0.381589 | 0.033132 | 0.026800 | 3.973495 | 42 |
| NaCl | -15.216563 | 0.140933 | 0.157400 | -10.333019 | 51903 |
| O2 | -31.902999 | 0.161566 | 0.192400 | -19.348624 | 10629003 |
| OH | -16.525977 | 0.155866 | 0.170200 | -8.994886 | 7564 |
| P2 | -13.041387 | 0.147306 | 0.186000 | -24.280718 | 4322583 |
| PH2 | -7.667888 | 0.222058 | 0.244000 | -13.768674 | 65889 |
| PH3 | -8.298346 | 0.353121 | 0.389000 | -22.514734 | 591428 |
| S2 | -20.289154 | 0.133327 | 0.164000 | -19.247509 | 10738308 |
| SO | -26.108987 | 0.160357 | 0.200700 | -25.315359 | 11162959 |
| SO2 | -42.129481 | 0.310134 | 0.414400 | -65.427645 | 10412479 |
| Si2 | -7.597935 | 0.098883 | 0.121000 | -13.878746 | 2003423 |
| Si2H6 | -11.283225 | 0.787804 | 0.849000 | -38.401204 | 19555662 |
| SiH2_1A1 | -4.973084 | 0.224768 | 0.243000 | -11.440868 | 15271 |
| SiH2_3B1 | -4.943786 | 0.195470 | 0.210000 | -9.117502 | 43679 |
| SiH3 | -5.584801 | 0.337090 | 0.363000 | -16.258612 | 260800 |
| SiH4 | -6.231119 | 0.484013 | 0.515000 | -19.444443 | 1538523 |
| SiO | -19.885505 | 0.265263 | 0.306700 | -26.002210 | 1775195 |
|---------+------------+----------+----------+------------+----------|
| | | 19.20 | -19.05 | 10.91 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: dz-dmc-2.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| Be | -1.006595 | 0.000022 | | | | | | 20 |
| C | -5.431906 | 0.000093 | | | | | | 256 |
| Cl | -14.961958 | 0.000401 | | | | | | 8768 |
| F | -24.194111 | 0.000300 | | | | | | 1123 |
| H | -0.500001 | 0.000005 | | | | | | 1 |
| Li | -0.196327 | 0.000003 | | | | | | 1 |
| N | -9.798247 | 0.000123 | | | | | | 266 |
| Na | -0.182031 | 0.000014 | | | | | | 1 |
| O | -15.901191 | 0.000224 | | | | | | 720 |
| P | -6.472694 | 0.000166 | | | | | | 883 |
| S | -10.124398 | 0.000232 | | | | | | 2158 |
| Si | -3.765019 | 0.000078 | | | | | | 280 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| BeH | -1.578901 | 0.000071 | 0.072306 | 0.000075 | 0.079400 | -4.451676 | 0.046990 | 233 |
| C2H2 | -12.497788 | 0.000824 | 0.633975 | 0.000845 | 0.642400 | -5.286650 | 0.530369 | 3536175 |
| C2H4 | -13.749666 | 0.001750 | 0.885851 | 0.001760 | 0.899000 | -8.250839 | 1.104670 | 13804446 |
| C2H6 | -14.986264 | 0.001844 | 1.122449 | 0.001854 | 1.136900 | -9.068419 | 1.163298 | 16695116 |
| CH | -6.064139 | 0.000220 | 0.132232 | 0.000239 | 0.133900 | -1.046559 | 0.149734 | 4503 |
| CH2_1A1 | -6.716863 | 0.000386 | 0.284956 | 0.000397 | 0.288900 | -2.475141 | 0.249249 | 17886 |
| CH2_3B1 | -6.731490 | 0.000375 | 0.299583 | 0.000387 | 0.304100 | -2.834312 | 0.242556 | 26137 |
| CH3 | -7.415891 | 0.000622 | 0.483984 | 0.000629 | 0.490800 | -4.277356 | 0.394564 | 112935 |
| CH3Cl | -22.511612 | 0.002044 | 0.617747 | 0.002085 | 0.631000 | -8.316552 | 1.308100 | 14187344 |
| CH4 | -8.095004 | 0.000385 | 0.663096 | 0.000396 | 0.670300 | -4.520816 | 0.248672 | 933450 |
| CN | -15.513401 | 0.000697 | 0.283249 | 0.000714 | 0.288800 | -3.483473 | 0.448137 | 2523139 |
| CO | -21.741989 | 0.000808 | 0.408892 | 0.000844 | 0.413700 | -3.017062 | 0.529316 | 1727262 |
| CO2 | -37.838563 | 0.002474 | 0.604275 | 0.002516 | 0.621400 | -10.745815 | 1.578520 | 11725352 |
| CS | -15.821184 | 0.000835 | 0.264880 | 0.000872 | 0.274000 | -5.722774 | 0.547105 | 2658739 |
| Cl2 | -30.014456 | 0.001995 | 0.090541 | 0.002150 | 0.094000 | -2.170680 | 1.349045 | 12609257 |
| ClF | -39.243560 | 0.001936 | 0.087491 | 0.001999 | 0.100100 | -7.912075 | 1.254574 | 8476468 |
| ClO | -30.954676 | 0.001525 | 0.091528 | 0.001593 | 0.104700 | -8.265845 | 0.999491 | 10858948 |
| F2 | -48.441060 | 0.000725 | 0.052839 | 0.000941 | 0.062200 | -5.874238 | 0.590791 | 829438 |
| H2CO | -22.916965 | 0.001482 | 0.583867 | 0.001502 | 0.596700 | -8.052762 | 0.942212 | 11090595 |
| H2O | -17.259101 | 0.000741 | 0.357910 | 0.000775 | 0.371900 | -8.779163 | 0.486042 | 56247 |
| H2O2 | -33.204067 | 0.002796 | 0.401685 | 0.002831 | 0.429400 | -17.391708 | 1.776731 | 19069926 |
| H2S | -11.410534 | 0.000195 | 0.286135 | 0.000303 | 0.292000 | -3.680234 | 0.190292 | 172622 |
| H3COH | -24.132624 | 0.002133 | 0.799525 | 0.002147 | 0.818700 | -12.032629 | 1.347382 | 16136860 |
| H3CSH | -18.298936 | 0.002118 | 0.742630 | 0.002133 | 0.757000 | -9.017169 | 1.338446 | 15981581 |
| HCN | -16.220587 | 0.000843 | 0.490434 | 0.000857 | 0.496900 | -4.057275 | 0.537619 | 2869501 |
| HCO | -22.267292 | 0.001637 | 0.434195 | 0.001655 | 0.444700 | -6.591982 | 1.038261 | 11562913 |
| HCl | -15.629973 | 0.000818 | 0.168015 | 0.000911 | 0.171000 | -1.873090 | 0.571667 | 54420 |
| HF | -24.910279 | 0.000519 | 0.216168 | 0.000600 | 0.226100 | -6.232372 | 0.376339 | 6415 |
| HOCl | -31.613092 | 0.002201 | 0.249943 | 0.002248 | 0.264700 | -9.260126 | 1.410753 | 11555771 |
| Li2 | -0.431190 | 0.000014 | 0.038535 | 0.000015 | 0.038900 | -0.229050 | 0.009272 | 20 |
| LiF | -24.608427 | 0.000670 | 0.217989 | 0.000735 | 0.222000 | -2.516888 | 0.460954 | 13192 |
| LiH | -0.788722 | 0.000024 | 0.092394 | 0.000025 | 0.092430 | -0.022762 | 0.015673 | 43 |
| N2 | -19.952444 | 0.000503 | 0.355951 | 0.000560 | 0.364600 | -5.427264 | 0.351126 | 823923 |
| N2H4 | -22.269791 | 0.002112 | 0.673296 | 0.002126 | 0.699600 | -16.506001 | 1.334261 | 13428368 |
| NH | -10.426399 | 0.000367 | 0.128152 | 0.000387 | 0.133500 | -3.355986 | 0.242715 | 11091 |
| NH2 | -11.080973 | 0.000650 | 0.282725 | 0.000662 | 0.290400 | -4.816134 | 0.415426 | 64006 |
| NH3 | -11.760498 | 0.000201 | 0.462250 | 0.000236 | 0.475500 | -8.314473 | 0.148102 | 209417 |
| NO | -25.934225 | 0.000944 | 0.234787 | 0.000978 | 0.244500 | -6.094796 | 0.613971 | 4653596 |
| Na2 | -0.390447 | 0.000033 | 0.026385 | 0.000043 | 0.026800 | -0.260328 | 0.027142 | 42 |
| NaCl | -15.304223 | 0.001254 | 0.160234 | 0.001316 | 0.157400 | 1.778302 | 0.825953 | 51903 |
| O2 | -31.982676 | 0.002096 | 0.180295 | 0.002144 | 0.192400 | -7.596298 | 1.345131 | 10629003 |
| OH | -16.565295 | 0.000419 | 0.164104 | 0.000476 | 0.170200 | -3.825607 | 0.298383 | 7564 |
| P2 | -13.121053 | 0.000916 | 0.175666 | 0.000974 | 0.186000 | -6.484957 | 0.611206 | 4322583 |
| PH2 | -7.712194 | 0.000504 | 0.239499 | 0.000531 | 0.244000 | -2.824522 | 0.332993 | 65889 |
| PH3 | -8.349444 | 0.000338 | 0.376748 | 0.000377 | 0.389000 | -7.687997 | 0.236672 | 591428 |
| S2 | -20.400460 | 0.001613 | 0.151664 | 0.001679 | 0.164000 | -7.740877 | 1.053356 | 10738308 |
| SO | -26.209236 | 0.001486 | 0.183648 | 0.001520 | 0.200700 | -10.700392 | 0.953964 | 11162959 |
| SO2 | -42.298196 | 0.002883 | 0.371416 | 0.002927 | 0.414400 | -26.972684 | 1.836681 | 10412479 |
| Si2 | -7.644812 | 0.000467 | 0.114774 | 0.000492 | 0.121000 | -3.906972 | 0.308686 | 2003423 |
| Si2H6 | -11.372059 | 0.002008 | 0.842017 | 0.002014 | 0.849000 | -4.381877 | 1.263767 | 19555662 |
| SiH2_1A1 | -5.006767 | 0.000368 | 0.241747 | 0.000376 | 0.243000 | -0.786424 | 0.236112 | 15271 |
| SiH2_3B1 | -4.974273 | 0.000427 | 0.209253 | 0.000434 | 0.210000 | -0.468768 | 0.272411 | 43679 |
| SiH3 | -5.623306 | 0.000662 | 0.358286 | 0.000667 | 0.363000 | -2.958344 | 0.418358 | 260800 |
| SiH4 | -6.277594 | 0.000436 | 0.512572 | 0.000443 | 0.515000 | -1.523325 | 0.278234 | 1538523 |
| SiO | -19.961945 | 0.000824 | 0.295735 | 0.000858 | 0.306700 | -6.880821 | 0.538188 | 1775195 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| | 5.98 | 0.83 | -5.91 | 4.79 | 0.71 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=5$
**** CIPSI
#+NAME: dz-cipsi-5.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+----------|
| Be | -1.000376 | | | | 20 |
| C | -5.410380 | | | | 263 |
| Cl | -14.881046 | | | | 6494 |
| F | -24.111984 | | | | 2062 |
| H | -0.499061 | | | | 1 |
| Li | -0.195612 | | | | 1 |
| N | -9.763552 | | | | 541 |
| Na | -0.174227 | | | | 1 |
| O | -15.839365 | | | | 2128 |
| P | -6.443065 | | | | 887 |
| S | -10.067504 | | | | 4574 |
| Si | -3.748107 | | | | 278 |
|---------+------------+----------+----------+------------+----------|
| BeH | -1.553839 | 0.054402 | 0.079400 | -15.686777 | 233 |
| C2H2 | -12.412686 | 0.593804 | 0.642400 | -30.494351 | 6437284 |
| C2H4 | -13.660002 | 0.842998 | 0.899000 | -35.141559 | 10042908 |
| C2H6 | -14.886209 | 1.071084 | 1.136900 | -41.300048 | 15548822 |
| CH | -6.032511 | 0.123070 | 0.133900 | -6.795753 | 4563 |
| CH2_1A1 | -6.677066 | 0.268564 | 0.288900 | -12.760815 | 33173 |
| CH2_3B1 | -6.696022 | 0.287520 | 0.304100 | -10.404092 | 32666 |
| CH3 | -7.371993 | 0.464431 | 0.490800 | -16.547001 | 164563 |
| CH3Cl | -22.373709 | 0.585101 | 0.631000 | -28.802093 | 14867432 |
| CH4 | -8.044466 | 0.637844 | 0.670300 | -20.366729 | 1872343 |
| CN | -15.427312 | 0.253380 | 0.288800 | -22.226397 | 4111066 |
| CO | -21.633999 | 0.384253 | 0.413700 | -18.478174 | 3069921 |
| CO2 | -37.647268 | 0.558157 | 0.621400 | -39.685566 | 10668509 |
| CS | -15.721648 | 0.243764 | 0.274000 | -18.973595 | 4545205 |
| Cl2 | -29.825298 | 0.063206 | 0.094000 | -19.323669 | 10038408 |
| ClF | -39.059718 | 0.066688 | 0.100100 | -20.966267 | 12928114 |
| ClO | -30.786196 | 0.065784 | 0.104700 | -24.420007 | 12144026 |
| F2 | -48.257292 | 0.033324 | 0.062200 | -18.120087 | 5326459 |
| H2CO | -22.801548 | 0.553681 | 0.596700 | -26.994596 | 11136605 |
| H2O | -17.177034 | 0.339547 | 0.371900 | -20.301762 | 109105 |
| H2O2 | -33.047087 | 0.370234 | 0.429400 | -37.127006 | 10985101 |
| H2S | -11.332958 | 0.267332 | 0.292000 | -15.479475 | 256788 |
| H3COH | -24.003383 | 0.757394 | 0.818700 | -38.469859 | 17678584 |
| H3CSH | -18.170900 | 0.696772 | 0.757000 | -37.793392 | 16397010 |
| HCN | -16.125520 | 0.452528 | 0.496900 | -27.844052 | 5180719 |
| HCO | -22.155268 | 0.406462 | 0.444700 | -23.994747 | 12216859 |
| HCl | -15.538103 | 0.157996 | 0.171000 | -8.160063 | 97332 |
| HF | -24.815328 | 0.204283 | 0.226100 | -13.690103 | 27889 |
| HOCl | -31.440622 | 0.221149 | 0.264700 | -27.328400 | 17238463 |
| Li2 | -0.428786 | 0.037563 | 0.038900 | -0.839265 | 20 |
| LiF | -24.503400 | 0.195804 | 0.222000 | -16.438369 | 28554 |
| LiH | -0.779351 | 0.084679 | 0.092430 | -4.863917 | 42 |
| N2 | -19.846393 | 0.319289 | 0.364600 | -28.432826 | 1768856 |
| N2H4 | -22.135439 | 0.612093 | 0.699600 | -54.911647 | 14198240 |
| NH | -10.379644 | 0.117031 | 0.133500 | -10.334275 | 33361 |
| NH2 | -11.022778 | 0.261105 | 0.290400 | -18.383085 | 67055 |
| NH3 | -11.693534 | 0.432800 | 0.475500 | -26.794430 | 456987 |
| NO | -25.809084 | 0.206166 | 0.244500 | -24.054658 | 10368223 |
| Na2 | -0.381508 | 0.033055 | 0.026800 | 3.925029 | 42 |
| NaCl | -15.192222 | 0.136949 | 0.157400 | -12.833239 | 80657 |
| O2 | -31.836437 | 0.157706 | 0.192400 | -21.770559 | 11523007 |
| OH | -16.492159 | 0.153733 | 0.170200 | -10.333023 | 30153 |
| P2 | -13.027028 | 0.140898 | 0.186000 | -28.301836 | 6278737 |
| PH2 | -7.659955 | 0.218769 | 0.244000 | -15.832824 | 118456 |
| PH3 | -8.288560 | 0.348313 | 0.389000 | -25.531647 | 606056 |
| S2 | -20.260869 | 0.125860 | 0.164000 | -23.933039 | 11723081 |
| SO | -26.061106 | 0.154236 | 0.200700 | -29.156347 | 10576126 |
| SO2 | -42.040831 | 0.294596 | 0.414400 | -75.178079 | 10602735 |
| Si2 | -7.592499 | 0.096285 | 0.121000 | -15.508628 | 2061669 |
| Si2H6 | -11.267397 | 0.776820 | 0.849000 | -45.293883 | 12297841 |
| SiH2_1A1 | -4.969493 | 0.223265 | 0.243000 | -12.383783 | 32755 |
| SiH2_3B1 | -4.939612 | 0.193384 | 0.210000 | -10.426548 | 26983 |
| SiH3 | -5.579336 | 0.334047 | 0.363000 | -18.168153 | 418101 |
| SiH4 | -6.224826 | 0.480476 | 0.515000 | -21.664076 | 3474506 |
| SiO | -19.849364 | 0.261891 | 0.306700 | -28.117864 | 4210107 |
|---------+------------+----------+----------+------------+----------|
| | | 22.93 | -22.79 | 13.24 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: dz-dmc-5.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| Na | -0.182031 | 0.000014 | | | | | | 20 |
| Li | -0.196327 | 0.000003 | | | | | | 263 |
| Be | -1.006664 | 0.000023 | | | | | | 6494 |
| C | -5.431907 | 0.000095 | | | | | | 2062 |
| F | -24.194681 | 0.000375 | | | | | | 1 |
| H | -0.500001 | 0.000005 | | | | | | 1 |
| O | -15.900981 | 0.000287 | | | | | | 541 |
| N | -9.798393 | 0.000165 | | | | | | 1 |
| P | -6.472602 | 0.000169 | | | | | | 2128 |
| Si | -3.765070 | 0.000086 | | | | | | 887 |
| Cl | -14.961838 | 0.000389 | | | | | | 4574 |
| S | -10.124174 | 0.000246 | | | | | | 278 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| BeH | -1.578740 | 0.000073 | 0.072075 | 0.000077 | 0.079400 | -4.596315 | 0.048049 | 233 |
| C2H2 | -12.495567 | 0.000935 | 0.631751 | 0.000955 | 0.642400 | -6.682460 | 0.599080 | 6437284 |
| C2H4 | -13.747247 | 0.001348 | 0.883430 | 0.001362 | 0.899000 | -9.770419 | 0.854619 | 10042908 |
| C2H6 | -14.983154 | 0.001875 | 1.119336 | 0.001885 | 1.136900 | -11.021494 | 1.182746 | 15548822 |
| CH | -6.063608 | 0.000221 | 0.131700 | 0.000241 | 0.133900 | -1.380442 | 0.151133 | 4563 |
| CH2_1A1 | -6.716850 | 0.000513 | 0.284942 | 0.000522 | 0.288900 | -2.483772 | 0.327298 | 33173 |
| CH2_3B1 | -6.731493 | 0.000407 | 0.299585 | 0.000418 | 0.304100 | -2.833394 | 0.262557 | 32666 |
| CH3 | -7.415403 | 0.000733 | 0.483494 | 0.000739 | 0.490800 | -4.584446 | 0.463978 | 164563 |
| CH3Cl | -22.512288 | 0.002038 | 0.618541 | 0.002077 | 0.631000 | -7.818214 | 1.303594 | 14867432 |
| CH4 | -8.094119 | 0.000507 | 0.662210 | 0.000517 | 0.670300 | -5.076674 | 0.324265 | 1872343 |
| CN | -15.511895 | 0.000794 | 0.281595 | 0.000817 | 0.288800 | -4.521172 | 0.512399 | 4111066 |
| CO | -21.740734 | 0.000859 | 0.407845 | 0.000910 | 0.413700 | -3.673902 | 0.571331 | 3069921 |
| CO2 | -37.835298 | 0.002356 | 0.601428 | 0.002427 | 0.621400 | -12.532638 | 1.522941 | 10668509 |
| CS | -15.822427 | 0.001073 | 0.266345 | 0.001105 | 0.274000 | -4.803354 | 0.693625 | 4545205 |
| Cl2 | -30.012216 | 0.001912 | 0.088540 | 0.002064 | 0.094000 | -3.426197 | 1.295187 | 10038408 |
| ClF | -39.245174 | 0.002160 | 0.088654 | 0.002227 | 0.100100 | -7.182356 | 1.397462 | 12928114 |
| ClO | -30.954136 | 0.001757 | 0.091317 | 0.001822 | 0.104700 | -8.398101 | 1.143378 | 12144026 |
| F2 | -48.445320 | 0.002051 | 0.055957 | 0.002184 | 0.062200 | -3.917423 | 1.370273 | 5326459 |
| H2CO | -22.916768 | 0.001622 | 0.583878 | 0.001650 | 0.596700 | -8.045842 | 1.035418 | 11136605 |
| H2O | -17.258077 | 0.000196 | 0.357095 | 0.000348 | 0.371900 | -9.290509 | 0.218178 | 109105 |
| H2O2 | -33.210332 | 0.002973 | 0.408368 | 0.003028 | 0.429400 | -13.197551 | 1.900072 | 10985101 |
| H2S | -11.410339 | 0.000216 | 0.286164 | 0.000328 | 0.292000 | -3.662245 | 0.205664 | 256788 |
| H3COH | -24.130840 | 0.000815 | 0.797949 | 0.000869 | 0.818700 | -13.021543 | 0.545607 | 17678584 |
| H3CSH | -18.297173 | 0.002210 | 0.741090 | 0.002226 | 0.757000 | -9.983954 | 1.396599 | 16397010 |
| HCN | -16.219231 | 0.001067 | 0.488930 | 0.001084 | 0.496900 | -5.001235 | 0.680359 | 5180719 |
| HCO | -22.263419 | 0.001572 | 0.430530 | 0.001601 | 0.444700 | -8.891761 | 1.004345 | 12216859 |
| HCl | -15.630285 | 0.000882 | 0.168446 | 0.000964 | 0.171000 | -1.602747 | 0.605229 | 97332 |
| HF | -24.908712 | 0.000747 | 0.214030 | 0.000835 | 0.226100 | -7.574232 | 0.524267 | 27889 |
| HOCl | -31.616639 | 0.002357 | 0.253819 | 0.002406 | 0.264700 | -6.827851 | 1.509663 | 17238463 |
| Li2 | -0.431197 | 0.000014 | 0.038543 | 0.000015 | 0.038900 | -0.224216 | 0.009263 | 20 |
| LiF | -24.607924 | 0.000805 | 0.216915 | 0.000888 | 0.222000 | -3.190759 | 0.557103 | 28554 |
| LiH | -0.788570 | 0.000027 | 0.092242 | 0.000028 | 0.092430 | -0.117848 | 0.017467 | 42 |
| N2 | -19.949524 | 0.000705 | 0.352738 | 0.000778 | 0.364600 | -7.443594 | 0.488192 | 1768856 |
| N2H4 | -22.264424 | 0.000801 | 0.667636 | 0.000867 | 0.699600 | -20.057903 | 0.543954 | 14198240 |
| NH | -10.425639 | 0.000387 | 0.127246 | 0.000421 | 0.133500 | -3.924735 | 0.264033 | 33361 |
| NH2 | -11.079829 | 0.000701 | 0.281434 | 0.000720 | 0.290400 | -5.625967 | 0.451810 | 67055 |
| NH3 | -11.758725 | 0.000294 | 0.460330 | 0.000337 | 0.475500 | -9.519450 | 0.211690 | 456987 |
| NO | -25.931221 | 0.001273 | 0.231847 | 0.001315 | 0.244500 | -7.940176 | 0.825427 | 10368223 |
| Na2 | -0.390449 | 0.000037 | 0.026388 | 0.000046 | 0.026800 | -0.258761 | 0.029155 | 42 |
| NaCl | -15.303432 | 0.001280 | 0.159563 | 0.001338 | 0.157400 | 1.357367 | 0.839496 | 80657 |
| O2 | -31.985779 | 0.001232 | 0.183816 | 0.001359 | 0.192400 | -5.386395 | 0.852844 | 11523007 |
| OH | -16.565232 | 0.000569 | 0.164250 | 0.000637 | 0.170200 | -3.733473 | 0.399660 | 30153 |
| P2 | -13.120376 | 0.001124 | 0.175172 | 0.001174 | 0.186000 | -6.794374 | 0.736836 | 6278737 |
| PH2 | -7.711953 | 0.000628 | 0.239350 | 0.000651 | 0.244000 | -2.918033 | 0.408342 | 118456 |
| PH3 | -8.349229 | 0.000333 | 0.376626 | 0.000374 | 0.389000 | -7.764844 | 0.234377 | 606056 |
| S2 | -20.403220 | 0.001615 | 0.154872 | 0.001689 | 0.164000 | -5.727888 | 1.059555 | 11723081 |
| SO | -26.208035 | 0.001912 | 0.182880 | 0.001949 | 0.200700 | -11.182322 | 1.223248 | 10576126 |
| SO2 | -42.298542 | 0.003073 | 0.372405 | 0.003136 | 0.414400 | -26.352288 | 1.967774 | 10602735 |
| Si2 | -7.645622 | 0.000477 | 0.115481 | 0.000507 | 0.121000 | -3.463014 | 0.318418 | 2061669 |
| Si2H6 | -11.372804 | 0.001734 | 0.842660 | 0.001743 | 0.849000 | -3.978605 | 1.093720 | 12297841 |
| SiH2_1A1 | -5.007868 | 0.000444 | 0.242796 | 0.000453 | 0.243000 | -0.127880 | 0.284098 | 32755 |
| SiH2_3B1 | -4.974600 | 0.000423 | 0.209528 | 0.000432 | 0.210000 | -0.295994 | 0.270890 | 26983 |
| SiH3 | -5.623635 | 0.000182 | 0.358563 | 0.000202 | 0.363000 | -2.784482 | 0.126517 | 418101 |
| SiH4 | -6.277334 | 0.000611 | 0.512261 | 0.000617 | 0.515000 | -1.718715 | 0.387297 | 3474506 |
| SiO | -19.963125 | 0.001051 | 0.297073 | 0.001093 | 0.306700 | -6.040980 | 0.685650 | 4210107 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| | 6.18 | 0.84 | -6.13 | 4.87 | 0.55 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** FCI
**** CIPSI
#+NAME: dz-cipsi-inf
| | Total E | | Delta E | | Reference | Error | |
| | Hartree | | Hartree | | Hartree | kcal/mol | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| Be | -1.000525 | 0.000000 | 0.000000 | 0.000000 | | | |
| C | -5.409599 | 0.000005 | 0.000000 | 0.000008 | | | |
| Cl | -14.874672 | 0.000003 | 0.000000 | 0.000004 | | | |
| F | -24.092714 | 0.000002 | 0.000000 | 0.000003 | | | |
| H | -0.499045 | 0.000000 | | 0.000000 | | | |
| Li | -0.195611 | 0.000000 | | 0.000000 | | | |
| N | -9.760495 | 0.000004 | 0.000000 | 0.000006 | | | |
| Na | -0.174227 | 0.000000 | | 0.000000 | | | |
| O | -15.830021 | 0.000005 | 0.000000 | 0.000007 | | | |
| P | -6.442099 | 0.000004 | 0.000000 | 0.000006 | | | |
| S | -10.064311 | 0.000002 | 0.000000 | 0.000002 | | | |
| Si | -3.747833 | 0.000004 | 0.000000 | 0.000005 | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| BeH | -1.553657 | 0.000020 | 0.054087 | 0.000020 | 0.079400 | -15.884299 | 0.012745 |
| C2H2 | -12.406315 | 0.000001 | 0.589027 | 0.000011 | 0.642400 | -33.492129 | 0.006743 |
| C2H4 | -13.654309 | 0.000006 | 0.838930 | 0.000012 | 0.899000 | -37.694551 | 0.007803 |
| C2H6 | -14.883546 | 0.000042 | 1.070077 | 0.000043 | 1.136900 | -41.932051 | 0.027188 |
| CH | -6.030934 | 0.000018 | 0.122290 | 0.000018 | 0.133900 | -7.285247 | 0.011601 |
| CH2_1A1 | -6.674394 | 0.000001 | 0.266704 | 0.000005 | 0.288900 | -13.927911 | 0.003396 |
| CH2_3B1 | -6.693528 | 0.000006 | 0.285839 | 0.000008 | 0.304100 | -11.459136 | 0.005163 |
| CH3 | -7.368566 | 0.000005 | 0.461832 | 0.000007 | 0.490800 | -18.177798 | 0.004427 |
| CH3Cl | -22.365840 | 0.000001 | 0.584434 | 0.000006 | 0.631000 | -29.220712 | 0.003816 |
| CH4 | -8.040305 | 0.000000 | 0.634525 | 0.000005 | 0.670300 | -22.449252 | 0.003365 |
| CN | -15.420598 | 0.000003 | 0.250504 | 0.000007 | 0.288800 | -24.031255 | 0.004544 |
| CO | -21.620628 | 0.000002 | 0.381008 | 0.000008 | 0.413700 | -20.514513 | 0.004735 |
| CO2 | -37.628607 | 0.000059 | 0.558965 | 0.000060 | 0.621400 | -39.178355 | 0.037402 |
| CS | -15.715859 | 0.000007 | 0.241949 | 0.000009 | 0.274000 | -20.112329 | 0.005672 |
| Cl2 | -29.813093 | 0.000027 | 0.063750 | 0.000028 | 0.094000 | -18.982410 | 0.017322 |
| ClF | -39.034069 | 0.000003 | 0.066683 | 0.000005 | 0.100100 | -20.969596 | 0.003000 |
| ClO | -30.770680 | 0.000045 | 0.065986 | 0.000045 | 0.104700 | -24.293159 | 0.028395 |
| F2 | -48.220437 | 0.000013 | 0.035009 | 0.000014 | 0.062200 | -17.062405 | 0.008592 |
| H2CO | -22.787835 | 0.000007 | 0.550124 | 0.000010 | 0.596700 | -29.226623 | 0.006371 |
| H2O | -17.164687 | 0.000002 | 0.336575 | 0.000005 | 0.371900 | -22.166891 | 0.003427 |
| H2O2 | -33.028440 | 0.000005 | 0.370306 | 0.000011 | 0.429400 | -37.081794 | 0.007070 |
| H2S | -11.328294 | 0.000005 | 0.265892 | 0.000005 | 0.292000 | -16.382937 | 0.003348 |
| H3COH | -23.991233 | 0.000031 | 0.755432 | 0.000032 | 0.818700 | -39.701171 | 0.019791 |
| H3CSH | -18.167969 | 0.000012 | 0.697878 | 0.000013 | 0.757000 | -37.099583 | 0.008264 |
| HCN | -16.117018 | 0.000010 | 0.447879 | 0.000012 | 0.496900 | -30.761212 | 0.007333 |
| HCO | -22.143045 | 0.000045 | 0.404380 | 0.000045 | 0.444700 | -25.301260 | 0.028375 |
| HCl | -15.530706 | 0.000002 | 0.156989 | 0.000004 | 0.171000 | -8.791842 | 0.002203 |
| HF | -24.794339 | 0.000004 | 0.202580 | 0.000004 | 0.226100 | -14.759161 | 0.002800 |
| HOCl | -31.423913 | 0.000024 | 0.220175 | 0.000024 | 0.264700 | -27.940178 | 0.015246 |
| Li2 | -0.429044 | 0.000060 | 0.037821 | 0.000060 | 0.038900 | -0.676813 | 0.037575 |
| LiF | -24.483187 | 0.000002 | 0.194861 | 0.000003 | 0.222000 | -17.029906 | 0.001685 |
| LiH | -0.779445 | 0.000017 | 0.084788 | 0.000017 | 0.092430 | -4.795199 | 0.010737 |
| N2 | -19.835407 | 0.000003 | 0.314416 | 0.000009 | 0.364600 | -31.491175 | 0.005555 |
| N2H4 | -22.128406 | 0.000214 | 0.611234 | 0.000214 | 0.699600 | -55.450386 | 0.134476 |
| NH | -10.374951 | 0.000002 | 0.115411 | 0.000005 | 0.133500 | -11.351160 | 0.002996 |
| NH2 | -11.017001 | 0.000005 | 0.258415 | 0.000006 | 0.290400 | -20.070801 | 0.004039 |
| NH3 | -11.686444 | 0.000000 | 0.428812 | 0.000004 | 0.475500 | -29.296879 | 0.002613 |
| NO | -25.793826 | 0.000129 | 0.203309 | 0.000129 | 0.244500 | -25.847639 | 0.080893 |
| Na2 | -0.381534 | 0.000022 | 0.033081 | 0.000022 | 0.026800 | 3.941120 | 0.013579 |
| NaCl | -15.184794 | 0.000001 | 0.135896 | 0.000003 | 0.157400 | -13.493887 | 0.001872 |
| O2 | -31.816772 | 0.000121 | 0.156729 | 0.000121 | 0.192400 | -22.383702 | 0.076130 |
| OH | -16.481149 | 0.000002 | 0.152082 | 0.000005 | 0.170200 | -11.369113 | 0.003281 |
| P2 | -13.023495 | 0.000001 | 0.139297 | 0.000008 | 0.186000 | -29.306650 | 0.005094 |
| PH2 | -7.657876 | 0.000002 | 0.217687 | 0.000004 | 0.244000 | -16.511897 | 0.002734 |
| PH3 | -8.286027 | 0.000000 | 0.346793 | 0.000004 | 0.389000 | -26.485578 | 0.002548 |
| S2 | -20.256068 | 0.000060 | 0.127446 | 0.000060 | 0.164000 | -22.938239 | 0.037658 |
| SO | -26.048352 | 0.000018 | 0.154020 | 0.000018 | 0.200700 | -29.292418 | 0.011468 |
| SO2 | -42.028516 | 0.000227 | 0.304162 | 0.000227 | 0.414400 | -69.175360 | 0.142590 |
| Si2 | -7.591467 | 0.000007 | 0.095801 | 0.000010 | 0.121000 | -15.812907 | 0.006403 |
| Si2H6 | -11.270422 | 0.000246 | 0.780484 | 0.000246 | 0.849000 | -42.994362 | 0.154309 |
| SiH2_1A1 | -4.968425 | 0.000005 | 0.222501 | 0.000006 | 0.243000 | -12.863146 | 0.003838 |
| SiH2_3B1 | -4.938797 | 0.000006 | 0.192874 | 0.000007 | 0.210000 | -10.746899 | 0.004274 |
| SiH3 | -5.578078 | 0.000000 | 0.333109 | 0.000004 | 0.363000 | -18.756914 | 0.002380 |
| SiH4 | -6.222956 | 0.000004 | 0.478942 | 0.000006 | 0.515000 | -22.626643 | 0.003517 |
| SiO | -19.838066 | 0.000008 | 0.260212 | 0.000010 | 0.306700 | -29.171779 | 0.006358 |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | 23.63 | 0.04 | -23.49 | 12.81 | 0.04 | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
**** DMC
#+NAME: dz-dmc-inf
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| Be | -1.007625 | 0.000014 | 0.000000 | 0.000020 | | | | 21 |
| C | -5.431715 | 0.000065 | 0.000000 | 0.000092 | | | | 267 |
| Cl | -14.962307 | 0.000256 | 0.000000 | 0.000362 | | | | 10252 |
| F | -24.193487 | 0.000257 | 0.000000 | 0.000363 | | | | 4775 |
| H | -0.499996 | 0.000007 | 0.000000 | 0.000010 | | | | 1 |
| Li | -0.196329 | 0.000004 | 0.000000 | 0.000006 | | | | 1 |
| N | -9.798226 | 0.000105 | 0.000000 | 0.000149 | | | | 538 |
| Na | -0.182136 | 0.000008 | 0.000000 | 0.000011 | | | | 1 |
| O | -15.900621 | 0.000176 | 0.000000 | 0.000249 | | | | 2191 |
| P | -6.472697 | 0.000089 | 0.000000 | 0.000126 | | | | 940 |
| S | -10.124922 | 0.000191 | 0.000000 | 0.000271 | | | | 5694 |
| Si | -3.765137 | 0.000063 | 0.000000 | 0.000089 | | | | 467 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| BeH | -1.579924 | 0.000058 | 0.072304 | 0.000060 | 0.079400 | -4.452718 | 0.037652 | 224 |
| C2H2 | -12.491177 | 0.001978 | 0.627755 | 0.001982 | 0.642400 | -9.189949 | 1.243661 | 6379033 |
| C2H4 | -13.747858 | 0.002165 | 0.884445 | 0.002169 | 0.899000 | -9.133250 | 1.360919 | 10591776 |
| C2H6 | -14.980890 | 0.002993 | 1.117486 | 0.002996 | 1.136900 | -12.182781 | 1.880250 | 17334909 |
| CH | -6.063309 | 0.000142 | 0.131598 | 0.000156 | 0.133900 | -1.444348 | 0.098110 | 4424 |
| CH2_1A1 | -6.715937 | 0.000274 | 0.284230 | 0.000282 | 0.288900 | -2.930337 | 0.176733 | 33542 |
| CH2_3B1 | -6.730926 | 0.000247 | 0.299220 | 0.000256 | 0.304100 | -3.062465 | 0.160633 | 30834 |
| CH3 | -7.415930 | 0.000433 | 0.484228 | 0.000439 | 0.490800 | -4.124162 | 0.275260 | 166447 |
| CH3Cl | -22.511728 | 0.003261 | 0.617719 | 0.003272 | 0.631000 | -8.333880 | 2.053169 | 15590288 |
| CH4 | -8.092352 | 0.001733 | 0.660654 | 0.001735 | 0.670300 | -6.052881 | 1.088669 | 3122549 |
| CN | -15.511536 | 0.001716 | 0.281595 | 0.001721 | 0.288800 | -4.521091 | 1.079775 | 4176099 |
| CO | -21.740502 | 0.002046 | 0.408166 | 0.002055 | 0.413700 | -3.472682 | 1.289362 | 3213703 |
| CO2 | -37.838828 | 0.001777 | 0.605871 | 0.001812 | 0.621400 | -9.744893 | 1.137305 | 14178168 |
| CS | -15.809393 | 0.002280 | 0.252755 | 0.002289 | 0.274000 | -13.331407 | 1.436248 | 4718077 |
| Cl2 | -30.006770 | 0.001417 | 0.082156 | 0.001507 | 0.094000 | -7.432073 | 0.945753 | 12989304 |
| ClF | -39.247103 | 0.001471 | 0.091309 | 0.001515 | 0.100100 | -5.516449 | 0.950520 | 12655275 |
| ClO | -30.948491 | 0.002849 | 0.085563 | 0.002866 | 0.104700 | -12.008590 | 1.798595 | 10324859 |
| F2 | -48.437580 | 0.002788 | 0.050606 | 0.002835 | 0.062200 | -7.275352 | 1.779096 | 8302442 |
| H2CO | -22.914591 | 0.002667 | 0.582263 | 0.002674 | 0.596700 | -9.059348 | 1.677865 | 10264703 |
| H2O | -17.257153 | 0.000554 | 0.356541 | 0.000582 | 0.371900 | -9.637832 | 0.365219 | 99885 |
| H2O2 | -33.210861 | 0.001813 | 0.409628 | 0.001847 | 0.429400 | -12.406998 | 1.158935 | 10320031 |
| H2S | -11.410576 | 0.000694 | 0.285663 | 0.000720 | 0.292000 | -3.976713 | 0.451833 | 259286 |
| H3COH | -24.133288 | 0.001467 | 0.800970 | 0.001480 | 0.818700 | -11.126046 | 0.928505 | 16358119 |
| H3CSH | -18.293307 | 0.003131 | 0.736687 | 0.003138 | 0.757000 | -12.746473 | 1.969176 | 18413076 |
| HCN | -16.216313 | 0.002143 | 0.486376 | 0.002146 | 0.496900 | -6.603748 | 1.346757 | 8167342 |
| HCO | -22.262328 | 0.002545 | 0.429996 | 0.002552 | 0.444700 | -9.226696 | 1.601523 | 12334847 |
| HCl | -15.630053 | 0.000503 | 0.167751 | 0.000564 | 0.171000 | -2.039062 | 0.354034 | 152328 |
| HF | -24.908111 | 0.000426 | 0.214628 | 0.000498 | 0.226100 | -7.198764 | 0.312367 | 49030 |
| HOCl | -31.608392 | 0.001374 | 0.245468 | 0.001409 | 0.264700 | -12.068155 | 0.883968 | 10067128 |
| Li2 | -0.431300 | 0.000009 | 0.038642 | 0.000012 | 0.038900 | -0.162060 | 0.007643 | 10 |
| LiF | -24.606552 | 0.000507 | 0.216736 | 0.000568 | 0.222000 | -3.303261 | 0.356414 | 51591 |
| LiH | -0.788098 | 0.000017 | 0.091774 | 0.000019 | 0.092430 | -0.411737 | 0.011790 | 22 |
| N2 | -19.949099 | 0.001829 | 0.352648 | 0.001841 | 0.364600 | -7.499767 | 1.155305 | 2993655 |
| N2H4 | -22.254991 | 0.001486 | 0.658557 | 0.001501 | 0.699600 | -25.754667 | 0.941605 | 13236879 |
| NH | -10.425927 | 0.000232 | 0.127706 | 0.000255 | 0.133500 | -3.635724 | 0.159726 | 11288 |
| NH2 | -11.079579 | 0.000445 | 0.281362 | 0.000457 | 0.290400 | -5.671417 | 0.286744 | 128829 |
| NH3 | -11.758534 | 0.000858 | 0.460322 | 0.000865 | 0.475500 | -9.524365 | 0.542585 | 913595 |
| NO | -25.925608 | 0.002478 | 0.226761 | 0.002487 | 0.244500 | -11.131121 | 1.560528 | 10184650 |
| Na2 | -0.390694 | 0.000021 | 0.026422 | 0.000027 | 0.026800 | -0.237078 | 0.016780 | 10 |
| NaCl | -15.300352 | 0.001292 | 0.155910 | 0.001317 | 0.157400 | -0.935284 | 0.826560 | 102321 |
| O2 | -31.978613 | 0.002212 | 0.177370 | 0.002240 | 0.192400 | -9.431204 | 1.405783 | 10258769 |
| OH | -16.563942 | 0.000322 | 0.163325 | 0.000367 | 0.170200 | -4.313827 | 0.230286 | 31287 |
| P2 | -13.109626 | 0.002003 | 0.164231 | 0.002011 | 0.186000 | -13.660387 | 1.262016 | 6057350 |
| PH2 | -7.712455 | 0.000403 | 0.239766 | 0.000413 | 0.244000 | -2.656750 | 0.259404 | 199003 |
| PH3 | -8.350324 | 0.000878 | 0.377640 | 0.000883 | 0.389000 | -7.128757 | 0.553934 | 830507 |
| S2 | -20.401043 | 0.002564 | 0.151199 | 0.002593 | 0.164000 | -8.032937 | 1.626850 | 10271330 |
| SO | -26.212229 | 0.002411 | 0.186686 | 0.002425 | 0.200700 | -8.794218 | 1.521950 | 10836590 |
| SO2 | -42.290926 | 0.002157 | 0.364762 | 0.002194 | 0.414400 | -31.148522 | 1.377029 | 10425047 |
| Si2 | -7.640979 | 0.000961 | 0.110705 | 0.000969 | 0.121000 | -6.460521 | 0.608056 | 2113836 |
| Si2H6 | -11.365871 | 0.002677 | 0.835623 | 0.002680 | 0.849000 | -8.394027 | 1.681992 | 13174386 |
| SiH2_1A1 | -5.006581 | 0.000257 | 0.241453 | 0.000265 | 0.243000 | -0.970756 | 0.166341 | 31953 |
| SiH2_3B1 | -4.974331 | 0.000249 | 0.209203 | 0.000258 | 0.210000 | -0.499925 | 0.161639 | 26570 |
| SiH3 | -5.624316 | 0.000625 | 0.359192 | 0.000629 | 0.363000 | -2.389674 | 0.394463 | 435225 |
| SiH4 | -6.276132 | 0.001187 | 0.511013 | 0.001189 | 0.515000 | -2.502072 | 0.746197 | 2954175 |
| SiO | -19.954964 | 0.002217 | 0.289206 | 0.002225 | 0.306700 | -10.977712 | 1.396411 | 4457124 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| | 7.38 | 1.08 | -7.38 | 5.67 | 0.68 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** Optimal mu
**** DMC
#+NAME: dz-dmc-opt
| | Total E | | Delta E | | Reference | Error | |
| | Hartree | | Hartree | | Hartree | kcal/mol | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| Be | -1.007961 | 0.000022 | 0.000000 | 0.000031 | | | |
| C | -5.432014 | 0.000206 | 0.000000 | 0.000291 | | | |
| Cl | -14.962307 | 0.000512 | 0.000000 | 0.000724 | | | |
| F | -24.194931 | 0.000739 | 0.000000 | 0.001045 | | | |
| H | -0.500031 | 0.000036 | 0.000000 | 0.000051 | | | |
| Li | -0.196348 | 0.000020 | 0.000000 | 0.000028 | | | |
| N | -9.798642 | 0.000312 | 0.000000 | 0.000441 | | | |
| Na | -0.182144 | 0.000028 | 0.000000 | 0.000039 | | | |
| O | -15.901711 | 0.000538 | 0.000000 | 0.000761 | | | |
| P | -6.472749 | 0.000369 | 0.000000 | 0.000522 | | | |
| S | -10.124922 | 0.000382 | 0.000000 | 0.000540 | | | |
| Si | -3.765137 | 0.000126 | 0.000000 | 0.000178 | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| BeH | -1.580516 | 0.000407 | 0.072524 | 0.000409 | 0.079400 | -4.314947 | 0.256635 |
| C2H2 | -12.497801 | 0.001694 | 0.633712 | 0.001745 | 0.642400 | -5.451619 | 1.094747 |
| C2H4 | -13.749665 | 0.003523 | 0.885514 | 0.003550 | 0.899000 | -8.462788 | 2.227753 |
| C2H6 | -14.986262 | 0.003724 | 1.122049 | 0.003753 | 1.136900 | -9.319339 | 2.355190 |
| CH | -6.064142 | 0.000457 | 0.132097 | 0.000503 | 0.133900 | -1.131338 | 0.315606 |
| CH2_1A1 | -6.716895 | 0.001010 | 0.284820 | 0.001033 | 0.288900 | -2.560366 | 0.648276 |
| CH2_3B1 | -6.731543 | 0.000876 | 0.299468 | 0.000903 | 0.304100 | -2.906815 | 0.566781 |
| CH3 | -7.416230 | 0.000531 | 0.484123 | 0.000580 | 0.490800 | -4.189759 | 0.363707 |
| CH3Cl | -22.512392 | 0.004245 | 0.617978 | 0.004282 | 0.631000 | -8.171121 | 2.686994 |
| CH4 | -8.095023 | 0.000712 | 0.662886 | 0.000755 | 0.670300 | -4.652422 | 0.473859 |
| CN | -15.513658 | 0.001488 | 0.283003 | 0.001534 | 0.288800 | -3.637926 | 0.962760 |
| CO | -21.742290 | 0.001696 | 0.408566 | 0.001792 | 0.413700 | -3.221762 | 1.124209 |
| CO2 | -37.838828 | 0.003554 | 0.603393 | 0.003719 | 0.621400 | -11.299761 | 2.333710 |
| CS | -15.822821 | 0.002003 | 0.265885 | 0.002050 | 0.274000 | -5.091993 | 1.286195 |
| Cl2 | -30.015282 | 0.004435 | 0.090668 | 0.004552 | 0.094000 | -2.090801 | 2.856122 |
| ClF | -39.247103 | 0.002942 | 0.089865 | 0.003076 | 0.100100 | -6.422439 | 1.930442 |
| ClO | -30.955721 | 0.003402 | 0.091703 | 0.003482 | 0.104700 | -8.155936 | 2.184944 |
| F2 | -48.445326 | 0.004050 | 0.055464 | 0.004311 | 0.062200 | -4.226845 | 2.705490 |
| H2CO | -22.917150 | 0.003311 | 0.583364 | 0.003361 | 0.596700 | -8.368473 | 2.109226 |
| H2O | -17.259143 | 0.001461 | 0.357370 | 0.001559 | 0.371900 | -9.117846 | 0.978175 |
| H2O2 | -33.212019 | 0.004670 | 0.408535 | 0.004793 | 0.429400 | -13.092808 | 3.007386 |
| H2S | -11.410615 | 0.000390 | 0.285631 | 0.000551 | 0.292000 | -3.996862 | 0.345646 |
| H3COH | -24.133288 | 0.002934 | 0.799440 | 0.002993 | 0.818700 | -12.086094 | 1.878439 |
| H3CSH | -18.299331 | 0.004557 | 0.742272 | 0.004580 | 0.757000 | -9.242030 | 2.873786 |
| HCN | -16.220753 | 0.001826 | 0.490066 | 0.001864 | 0.496900 | -4.288152 | 1.169733 |
| HCO | -22.267303 | 0.003310 | 0.433548 | 0.003360 | 0.444700 | -6.997992 | 2.108374 |
| HCl | -15.630371 | 0.001893 | 0.168033 | 0.001961 | 0.171000 | -1.861759 | 1.230832 |
| HF | -24.910464 | 0.001192 | 0.215502 | 0.001403 | 0.226100 | -6.650163 | 0.880384 |
| HOCl | -31.616696 | 0.004825 | 0.252648 | 0.004882 | 0.264700 | -7.563064 | 3.063237 |
| Li2 | -0.431467 | 0.000036 | 0.038771 | 0.000054 | 0.038900 | -0.081074 | 0.033797 |
| LiF | -24.608829 | 0.001551 | 0.217551 | 0.001718 | 0.222000 | -2.792043 | 1.078202 |
| LiH | -0.788766 | 0.000031 | 0.092387 | 0.000051 | 0.092430 | -0.027234 | 0.032164 |
| N2 | -19.952486 | 0.001049 | 0.355202 | 0.001220 | 0.364600 | -5.897402 | 0.765867 |
| N2H4 | -22.269902 | 0.004249 | 0.672494 | 0.004297 | 0.699600 | -17.009600 | 2.696656 |
| NH | -10.426484 | 0.000798 | 0.127811 | 0.000857 | 0.133500 | -3.570030 | 0.537873 |
| NH2 | -11.080989 | 0.001362 | 0.282285 | 0.001399 | 0.290400 | -5.092432 | 0.877951 |
| NH3 | -11.760519 | 0.000387 | 0.461784 | 0.000509 | 0.475500 | -8.606864 | 0.319341 |
| NO | -25.934535 | 0.002075 | 0.234182 | 0.002166 | 0.244500 | -6.474585 | 1.359089 |
| Na2 | -0.391131 | 0.000182 | 0.026842 | 0.000190 | 0.026800 | 0.026606 | 0.119431 |
| NaCl | -15.311160 | 0.005178 | 0.166709 | 0.005204 | 0.157400 | 5.841616 | 3.265410 |
| O2 | -31.985878 | 0.002795 | 0.182456 | 0.002995 | 0.192400 | -6.239834 | 1.879206 |
| OH | -16.565762 | 0.001070 | 0.164020 | 0.001198 | 0.170200 | -3.878012 | 0.751604 |
| P2 | -13.121588 | 0.002097 | 0.176091 | 0.002223 | 0.186000 | -6.218310 | 1.395126 |
| PH2 | -7.712455 | 0.000806 | 0.239644 | 0.000890 | 0.244000 | -2.733308 | 0.558170 |
| PH3 | -8.350324 | 0.001756 | 0.377482 | 0.001798 | 0.389000 | -7.227535 | 1.128051 |
| S2 | -20.403404 | 0.003266 | 0.153560 | 0.003354 | 0.164000 | -6.551142 | 2.104834 |
| SO | -26.212229 | 0.004822 | 0.185596 | 0.004867 | 0.200700 | -9.477848 | 3.054048 |
| SO2 | -42.299895 | 0.006613 | 0.371551 | 0.006711 | 0.414400 | -26.888239 | 4.211229 |
| Si2 | -7.645723 | 0.000950 | 0.115449 | 0.000983 | 0.121000 | -3.483371 | 0.616780 |
| Si2H6 | -11.373081 | 0.003867 | 0.842621 | 0.003881 | 0.849000 | -4.002573 | 2.435465 |
| SiH2_1A1 | -5.007910 | 0.000865 | 0.242711 | 0.000877 | 0.243000 | -0.181413 | 0.550475 |
| SiH2_3B1 | -4.974640 | 0.000755 | 0.209441 | 0.000769 | 0.210000 | -0.350464 | 0.482646 |
| SiH3 | -5.624316 | 0.001250 | 0.359086 | 0.001261 | 0.363000 | -2.456074 | 0.791270 |
| SiH4 | -6.277692 | 0.000996 | 0.512431 | 0.001014 | 0.515000 | -1.612261 | 0.636414 |
| SiO | -19.963415 | 0.001961 | 0.296567 | 0.002038 | 0.306700 | -6.358308 | 1.278744 |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | 5.85 | 1.75 | -5.63 | 4.79 | 1.11 | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
** VTZ-BFD
*** CCSD(T)
#+NAME: tz-ccsdt
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -1.008436 | | | |
| C | -5.427472 | | | |
| Cl | -14.945398 | | | |
| F | -24.163293 | | | |
| H | -0.499043 | | | |
| Li | -0.196093 | | | |
| N | -9.790590 | | | |
| Na | -0.181799 | | | |
| O | -15.882204 | | | |
| P | -6.468767 | | | |
| S | -10.115047 | | | |
| Si | -3.762765 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.581711 | 0.074232 | 0.079400 | -3.242985 |
| C2H2 | -12.478674 | 0.625645 | 0.642400 | -10.513868 |
| C2H4 | -13.727519 | 0.876404 | 0.899000 | -14.179031 |
| C2H6 | -14.960797 | 1.111596 | 1.136900 | -15.878341 |
| CH | -6.056141 | 0.129627 | 0.133900 | -2.681602 |
| CH2_1A1 | -6.705994 | 0.280436 | 0.288900 | -5.311028 |
| CH2_3B1 | -6.722273 | 0.296716 | 0.304100 | -4.633521 |
| CH3 | -7.404435 | 0.479834 | 0.490800 | -6.880995 |
| CH3Cl | -22.480675 | 0.610676 | 0.631000 | -12.753600 |
| CH4 | -8.080865 | 0.657222 | 0.670300 | -8.206828 |
| CN | -15.488160 | 0.270098 | 0.288800 | -11.735518 |
| CO | -21.710194 | 0.400519 | 0.413700 | -8.271300 |
| CO2 | -37.788022 | 0.596143 | 0.621400 | -15.849245 |
| CS | -15.802251 | 0.259732 | 0.274000 | -8.953503 |
| Cl2 | -29.974170 | 0.083373 | 0.094000 | -6.668402 |
| ClF | -39.196743 | 0.088052 | 0.100100 | -7.560187 |
| ClO | -30.917944 | 0.090342 | 0.104700 | -9.010093 |
| F2 | -48.379472 | 0.052887 | 0.062200 | -5.843976 |
| H2CO | -22.885687 | 0.577926 | 0.596700 | -11.781052 |
| H2O | -17.231656 | 0.351366 | 0.371900 | -12.885154 |
| H2O2 | -33.161842 | 0.399349 | 0.429400 | -18.857479 |
| H2S | -11.395638 | 0.282505 | 0.292000 | -5.958152 |
| H3COH | -24.096496 | 0.790649 | 0.818700 | -17.602030 |
| H3CSH | -18.271027 | 0.732336 | 0.757000 | -15.476709 |
| HCN | -16.195829 | 0.478724 | 0.496900 | -11.405350 |
| HCO | -22.235478 | 0.426760 | 0.444700 | -11.257525 |
| HCl | -15.609599 | 0.165158 | 0.171000 | -3.665860 |
| HF | -24.873550 | 0.211214 | 0.226100 | -9.341166 |
| HOCl | -31.571555 | 0.244910 | 0.264700 | -12.418209 |
| Li2 | -0.431324 | 0.039137 | 0.038900 | 0.148744 |
| LiF | -24.571797 | 0.212411 | 0.222000 | -6.016966 |
| LiH | -0.786075 | 0.090939 | 0.092430 | -0.935801 |
| N2 | -19.923964 | 0.342783 | 0.364600 | -13.690245 |
| N2H4 | -22.232092 | 0.654740 | 0.699600 | -28.150360 |
| NH | -10.413905 | 0.124271 | 0.133500 | -5.791039 |
| NH2 | -11.064019 | 0.275343 | 0.290400 | -9.448561 |
| NH3 | -11.740597 | 0.452878 | 0.475500 | -14.195353 |
| NO | -25.898524 | 0.225730 | 0.244500 | -11.778343 |
| Na2 | -0.390139 | 0.026540 | 0.026800 | -0.163335 |
| NaCl | -15.275523 | 0.148325 | 0.157400 | -5.694556 |
| O2 | -31.942255 | 0.177847 | 0.192400 | -9.131896 |
| OH | -16.541168 | 0.159921 | 0.170200 | -6.450081 |
| P2 | -13.102262 | 0.164729 | 0.186000 | -13.347871 |
| PH2 | -7.703585 | 0.236733 | 0.244000 | -4.560283 |
| PH3 | -8.339517 | 0.373622 | 0.389000 | -9.650012 |
| S2 | -20.378843 | 0.148748 | 0.164000 | -9.570940 |
| SO | -26.182182 | 0.184931 | 0.200700 | -9.895046 |
| SO2 | -42.259095 | 0.379640 | 0.414400 | -21.811970 |
| Si2 | -7.636796 | 0.111266 | 0.121000 | -6.107879 |
| Si2H6 | -11.357558 | 0.837770 | 0.849000 | -7.046836 |
| SiH2_1A1 | -5.001166 | 0.240315 | 0.243000 | -1.684898 |
| SiH2_3B1 | -4.969181 | 0.208330 | 0.210000 | -1.047681 |
| SiH3 | -5.617793 | 0.357899 | 0.363000 | -3.201007 |
| SiH4 | -6.269768 | 0.510831 | 0.515000 | -2.615881 |
| SiO | -19.935621 | 0.290652 | 0.306700 | -10.070160 |
|---------+------------+----------+----------+------------|
| | | 9.11 | -9.10 | 5.55 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** DFT
**** PBE
#+NAME: tz-pbe
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.995991 | | | |
| C | -5.419118 | | | |
| Cl | -14.944194 | | | |
| F | -24.193196 | | | |
| H | -0.497460 | | | |
| Li | -0.200687 | | | |
| N | -9.787241 | | | |
| Na | -0.187487 | | | |
| O | -15.899796 | | | |
| P | -6.463623 | | | |
| S | -10.113356 | | | |
| Si | -3.765007 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.580650 | 0.087199 | 0.079400 | 4.894017 |
| C2H2 | -12.486965 | 0.653810 | 0.642400 | 7.159796 |
| C2H4 | -13.735055 | 0.906981 | 0.899000 | 5.007887 |
| C2H6 | -14.964553 | 1.141559 | 1.136900 | 2.923734 |
| CH | -6.051717 | 0.135139 | 0.133900 | 0.777688 |
| CH2_1A1 | -6.697363 | 0.283326 | 0.288900 | -3.497800 |
| CH2_3B1 | -6.728559 | 0.314522 | 0.304100 | 6.539772 |
| CH3 | -7.408198 | 0.496701 | 0.490800 | 3.702898 |
| CH3Cl | -22.488662 | 0.632970 | 0.631000 | 1.236350 |
| CH4 | -8.079635 | 0.670679 | 0.670300 | 0.237715 |
| CN | -15.509687 | 0.303328 | 0.288800 | 9.116634 |
| CO | -21.732795 | 0.413881 | 0.413700 | 0.113545 |
| CO2 | -37.857917 | 0.639206 | 0.621400 | 11.173671 |
| CS | -15.808394 | 0.275919 | 0.274000 | 1.204396 |
| Cl2 | -29.988660 | 0.100271 | 0.094000 | 3.935165 |
| ClF | -39.243727 | 0.106336 | 0.100100 | 3.913345 |
| ClO | -30.962770 | 0.118780 | 0.104700 | 8.835315 |
| F2 | -48.457231 | 0.070838 | 0.062200 | 5.420598 |
| H2CO | -22.917097 | 0.603264 | 0.596700 | 4.118822 |
| H2O | -17.252686 | 0.357971 | 0.371900 | -8.740856 |
| H2O2 | -33.216050 | 0.421539 | 0.429400 | -4.932762 |
| H2S | -11.396219 | 0.287944 | 0.292000 | -2.545448 |
| H3COH | -24.124195 | 0.815443 | 0.818700 | -2.043976 |
| H3CSH | -18.279257 | 0.756944 | 0.757000 | -0.034932 |
| HCN | -16.211030 | 0.507212 | 0.496900 | 6.470739 |
| HCO | -22.272333 | 0.455960 | 0.444700 | 7.065490 |
| HCl | -15.608881 | 0.167227 | 0.171000 | -2.367787 |
| HF | -24.903909 | 0.213253 | 0.226100 | -8.061664 |
| HOCl | -31.605991 | 0.264541 | 0.264700 | -0.100055 |
| Li2 | -0.428730 | 0.027355 | 0.038900 | -7.244695 |
| LiF | -24.607418 | 0.213534 | 0.222000 | -5.312317 |
| LiH | -0.783761 | 0.085614 | 0.092430 | -4.277016 |
| N2 | -19.944031 | 0.369549 | 0.364600 | 3.105646 |
| N2H4 | -22.260667 | 0.696348 | 0.699600 | -2.040800 |
| NH | -10.424248 | 0.139547 | 0.133500 | 3.794796 |
| NH2 | -11.076950 | 0.294791 | 0.290400 | 2.755123 |
| NH3 | -11.750531 | 0.470912 | 0.475500 | -2.878996 |
| NO | -25.943718 | 0.256682 | 0.244500 | 7.644064 |
| Na2 | -0.393856 | 0.018882 | 0.026800 | -4.968665 |
| NaCl | -15.278649 | 0.146967 | 0.157400 | -6.546793 |
| O2 | -32.009634 | 0.210042 | 0.192400 | 11.070235 |
| OH | -16.564199 | 0.166943 | 0.170200 | -2.043735 |
| P2 | -13.116488 | 0.189243 | 0.186000 | 2.034774 |
| PH2 | -7.707406 | 0.248864 | 0.244000 | 3.052369 |
| PH3 | -8.339672 | 0.383670 | 0.389000 | -3.344494 |
| S2 | -20.403913 | 0.177201 | 0.164000 | 8.283867 |
| SO | -26.225336 | 0.212184 | 0.200700 | 7.206144 |
| SO2 | -42.334579 | 0.421631 | 0.414400 | 4.537734 |
| Si2 | -7.656755 | 0.126741 | 0.121000 | 3.602451 |
| Si2H6 | -11.347111 | 0.832340 | 0.849000 | -10.454500 |
| SiH2_1A1 | -4.997928 | 0.238002 | 0.243000 | -3.136498 |
| SiH2_3B1 | -4.973696 | 0.213769 | 0.210000 | 2.365398 |
| SiH3 | -5.615863 | 0.358477 | 0.363000 | -2.838362 |
| SiH4 | -6.259303 | 0.504458 | 0.515000 | -6.615368 |
| SiO | -19.964948 | 0.300145 | 0.306700 | -4.113561 |
|---------+------------+----------+----------+------------|
| | | 4.57 | 1.00 | 5.32 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** BLYP
#+NAME: tz-blyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.990724 | | | |
| C | -5.412035 | | | |
| Cl | -14.919266 | | | |
| F | -24.195703 | | | |
| H | -0.495143 | | | |
| Li | -0.196415 | | | |
| N | -9.773575 | | | |
| Na | -0.183293 | | | |
| O | -15.895611 | | | |
| P | -6.436111 | | | |
| S | -10.087796 | | | |
| Si | -3.745916 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.576501 | 0.090634 | 0.079400 | 7.049468 |
| C2H2 | -12.442751 | 0.628395 | 0.642400 | -8.788532 |
| C2H4 | -13.683411 | 0.878768 | 0.899000 | -12.695652 |
| C2H6 | -14.904358 | 1.109429 | 1.136900 | -17.238068 |
| CH | -6.042774 | 0.135595 | 0.133900 | 1.063769 |
| CH2_1A1 | -6.685429 | 0.283108 | 0.288900 | -3.634447 |
| CH2_3B1 | -6.705222 | 0.302901 | 0.304100 | -0.752635 |
| CH3 | -7.384027 | 0.486563 | 0.490800 | -2.659044 |
| CH3Cl | -22.426873 | 0.610143 | 0.631000 | -13.088176 |
| CH4 | -8.051779 | 0.659172 | 0.670300 | -6.983033 |
| CN | -15.473092 | 0.287482 | 0.288800 | -0.826773 |
| CO | -21.705111 | 0.397465 | 0.413700 | -10.187534 |
| CO2 | -37.806732 | 0.603475 | 0.621400 | -11.248075 |
| CS | -15.760496 | 0.260665 | 0.274000 | -8.367819 |
| Cl2 | -29.925185 | 0.086653 | 0.094000 | -4.610273 |
| ClF | -39.211343 | 0.096374 | 0.100100 | -2.338174 |
| ClO | -30.921408 | 0.106531 | 0.104700 | 1.148990 |
| F2 | -48.456313 | 0.064907 | 0.062200 | 1.698944 |
| H2CO | -22.881225 | 0.583293 | 0.596700 | -8.413018 |
| H2O | -17.237978 | 0.352081 | 0.371900 | -12.436373 |
| H2O2 | -33.189432 | 0.407925 | 0.429400 | -13.475759 |
| H2S | -11.363324 | 0.285243 | 0.292000 | -4.240357 |
| H3COH | -24.080384 | 0.792166 | 0.818700 | -16.650319 |
| H3CSH | -18.213982 | 0.733579 | 0.757000 | -14.696914 |
| HCN | -16.172336 | 0.491583 | 0.496900 | -3.336267 |
| HCO | -22.239825 | 0.437036 | 0.444700 | -4.809541 |
| HCl | -15.578024 | 0.163615 | 0.171000 | -4.634269 |
| HF | -24.900105 | 0.209259 | 0.226100 | -10.568046 |
| HOCl | -31.560892 | 0.250872 | 0.264700 | -8.677149 |
| Li2 | -0.423039 | 0.030210 | 0.038900 | -5.453102 |
| LiF | -24.606894 | 0.214776 | 0.222000 | -4.533028 |
| LiH | -0.786019 | 0.094462 | 0.092430 | 1.274872 |
| N2 | -19.908692 | 0.361542 | 0.364600 | -1.918770 |
| N2H4 | -22.209436 | 0.681714 | 0.699600 | -11.223336 |
| NH | -10.409081 | 0.140364 | 0.133500 | 4.306933 |
| NH2 | -11.058095 | 0.294235 | 0.290400 | 2.406227 |
| NH3 | -11.726008 | 0.467004 | 0.475500 | -5.331044 |
| NO | -25.914237 | 0.245052 | 0.244500 | 0.346439 |
| Na2 | -0.387892 | 0.021306 | 0.026800 | -3.447793 |
| NaCl | -15.248963 | 0.146404 | 0.157400 | -6.900326 |
| O2 | -31.984541 | 0.193320 | 0.192400 | 0.577220 |
| OH | -16.555878 | 0.165124 | 0.170200 | -3.185129 |
| P2 | -13.059180 | 0.186958 | 0.186000 | 0.601303 |
| PH2 | -7.679821 | 0.253424 | 0.244000 | 5.913901 |
| PH3 | -8.310387 | 0.388847 | 0.389000 | -0.095742 |
| S2 | -20.338710 | 0.163119 | 0.164000 | -0.553088 |
| SO | -26.183279 | 0.199872 | 0.200700 | -0.519508 |
| SO2 | -42.274016 | 0.394998 | 0.414400 | -12.174640 |
| Si2 | -7.609889 | 0.118058 | 0.121000 | -1.846244 |
| Si2H6 | -11.301180 | 0.838491 | 0.849000 | -6.594540 |
| SiH2_1A1 | -4.981718 | 0.245516 | 0.243000 | 1.578798 |
| SiH2_3B1 | -4.950108 | 0.213906 | 0.210000 | 2.451146 |
| SiH3 | -5.595816 | 0.364471 | 0.363000 | 0.923186 |
| SiH4 | -6.241116 | 0.514629 | 0.515000 | -0.232952 |
| SiO | -19.938421 | 0.296894 | 0.306700 | -6.153216 |
|---------+------------+----------+----------+------------|
| | | 5.58 | -4.44 | 5.80 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** PBE0
#+NAME: tz-pbe0
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.997403 | | | |
| C | -5.421836 | | | |
| Cl | -14.950473 | | | |
| F | -24.191931 | | | |
| H | -0.499425 | | | |
| Li | -0.201027 | | | |
| N | -9.791806 | | | |
| Na | -0.187580 | | | |
| O | -15.900347 | | | |
| P | -6.467784 | | | |
| S | -10.118287 | | | |
| Si | -3.766385 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.583607 | 0.086779 | 0.079400 | 4.630417 |
| C2H2 | -12.483540 | 0.641017 | 0.642400 | -0.867601 |
| C2H4 | -13.738962 | 0.897589 | 0.899000 | -0.885439 |
| C2H6 | -14.976908 | 1.136684 | 1.136900 | -0.135562 |
| CH | -6.053762 | 0.132501 | 0.133900 | -0.878119 |
| CH2_1A1 | -6.700648 | 0.279961 | 0.288900 | -5.609285 |
| CH2_3B1 | -6.733658 | 0.312971 | 0.304100 | 5.566845 |
| CH3 | -7.414741 | 0.494629 | 0.490800 | 2.402552 |
| CH3Cl | -22.497175 | 0.626590 | 0.631000 | -2.767530 |
| CH4 | -8.087640 | 0.668102 | 0.670300 | -1.378975 |
| CN | -15.491495 | 0.277853 | 0.288800 | -6.869428 |
| CO | -21.719381 | 0.397198 | 0.413700 | -10.355225 |
| CO2 | -37.829845 | 0.607314 | 0.621400 | -8.839069 |
| CS | -15.800526 | 0.260403 | 0.274000 | -8.532254 |
| Cl2 | -29.992501 | 0.091554 | 0.094000 | -1.534621 |
| ClF | -39.232663 | 0.090259 | 0.100100 | -6.175081 |
| ClO | -30.950426 | 0.099605 | 0.104700 | -3.196895 |
| F2 | -48.427906 | 0.044044 | 0.062200 | -11.392800 |
| H2CO | -22.906759 | 0.585725 | 0.596700 | -6.886885 |
| H2O | -17.248357 | 0.349159 | 0.371900 | -14.270335 |
| H2O2 | -33.195453 | 0.395908 | 0.429400 | -21.016443 |
| H2S | -11.401668 | 0.284530 | 0.292000 | -4.687354 |
| H3COH | -24.122893 | 0.803008 | 0.818700 | -9.846612 |
| H3CSH | -18.287977 | 0.750152 | 0.757000 | -4.297097 |
| HCN | -16.200224 | 0.487156 | 0.496900 | -6.114165 |
| HCO | -22.258027 | 0.436419 | 0.444700 | -5.196545 |
| HCl | -15.614960 | 0.165061 | 0.171000 | -3.726559 |
| HF | -24.898354 | 0.206998 | 0.226100 | -11.986513 |
| HOCl | -31.597823 | 0.247577 | 0.264700 | -10.744900 |
| Li2 | -0.429693 | 0.027640 | 0.038900 | -7.065499 |
| LiF | -24.596813 | 0.203856 | 0.222000 | -11.385494 |
| LiH | -0.784788 | 0.084336 | 0.092430 | -5.079099 |
| N2 | -19.928903 | 0.345292 | 0.364600 | -12.116270 |
| N2H4 | -22.257466 | 0.676153 | 0.699600 | -14.713280 |
| NH | -10.425865 | 0.134634 | 0.133500 | 0.711350 |
| NH2 | -11.077845 | 0.287188 | 0.290400 | -2.015515 |
| NH3 | -11.751984 | 0.461902 | 0.475500 | -8.532720 |
| NO | -25.923450 | 0.231297 | 0.244500 | -8.285315 |
| Na2 | -0.394033 | 0.018873 | 0.026800 | -4.974234 |
| NaCl | -15.283835 | 0.145782 | 0.157400 | -7.290276 |
| O2 | -31.984919 | 0.184225 | 0.192400 | -5.130183 |
| OH | -16.561463 | 0.161690 | 0.170200 | -5.340024 |
| P2 | -13.109172 | 0.173603 | 0.186000 | -7.779456 |
| PH2 | -7.712147 | 0.245512 | 0.244000 | 0.948883 |
| PH3 | -8.345644 | 0.379583 | 0.389000 | -5.909120 |
| S2 | -20.401825 | 0.165251 | 0.164000 | 0.785044 |
| SO | -26.211842 | 0.193207 | 0.200700 | -4.701706 |
| SO2 | -42.303546 | 0.384565 | 0.414400 | -18.721908 |
| Si2 | -7.653405 | 0.120635 | 0.121000 | -0.229187 |
| Si2H6 | -11.363882 | 0.834559 | 0.849000 | -9.061833 |
| SiH2_1A1 | -5.001358 | 0.236123 | 0.243000 | -4.315690 |
| SiH2_3B1 | -4.978607 | 0.213371 | 0.210000 | 2.115412 |
| SiH3 | -5.623570 | 0.358908 | 0.363000 | -2.567531 |
| SiH4 | -6.269705 | 0.505619 | 0.515000 | -5.886768 |
| SiO | -19.948316 | 0.281583 | 0.306700 | -15.760880 |
|---------+------------+----------+----------+------------|
| | | 6.40 | -5.78 | 5.49 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** B3LYP
#+NAME: tz-b3lyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -1.001064 | | | |
| C | -5.432579 | | | |
| Cl | -14.960253 | | | |
| F | -24.226363 | | | |
| H | -0.500247 | | | |
| Li | -0.200497 | | | |
| N | -9.801065 | | | |
| Na | -0.187080 | | | |
| O | -15.923078 | | | |
| P | -6.464760 | | | |
| S | -10.122081 | | | |
| Si | -3.766551 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.592187 | 0.090876 | 0.079400 | 7.201446 |
| C2H2 | -12.494274 | 0.628623 | 0.642400 | -8.645039 |
| C2H4 | -13.751531 | 0.885387 | 0.899000 | -8.542116 |
| C2H6 | -14.989941 | 1.123304 | 1.136900 | -8.531671 |
| CH | -6.068218 | 0.135393 | 0.133900 | 0.936957 |
| CH2_1A1 | -6.718234 | 0.285162 | 0.288900 | -2.345487 |
| CH2_3B1 | -6.738986 | 0.305914 | 0.304100 | 1.138201 |
| CH3 | -7.424792 | 0.491474 | 0.490800 | 0.422772 |
| CH3Cl | -22.509544 | 0.615972 | 0.631000 | -9.430071 |
| CH4 | -8.100245 | 0.666680 | 0.670300 | -2.271412 |
| CN | -15.505811 | 0.272167 | 0.288800 | -10.437318 |
| CO | -21.747159 | 0.391502 | 0.413700 | -13.929547 |
| CO2 | -37.870086 | 0.591351 | 0.621400 | -18.855819 |
| CS | -15.808673 | 0.254014 | 0.274000 | -12.541678 |
| Cl2 | -30.004344 | 0.083838 | 0.094000 | -6.376706 |
| ClF | -39.275124 | 0.088509 | 0.100100 | -7.273579 |
| ClO | -30.979586 | 0.096255 | 0.104700 | -5.299467 |
| F2 | -48.501355 | 0.048629 | 0.062200 | -8.515754 |
| H2CO | -22.936484 | 0.580334 | 0.596700 | -10.269904 |
| H2O | -17.275461 | 0.351890 | 0.371900 | -12.556392 |
| H2O2 | -33.245379 | 0.398729 | 0.429400 | -19.246046 |
| H2S | -11.410104 | 0.287530 | 0.292000 | -2.804710 |
| H3COH | -24.153635 | 0.796992 | 0.818700 | -13.621906 |
| H3CSH | -18.296977 | 0.741331 | 0.757000 | -9.832294 |
| HCN | -16.217584 | 0.483693 | 0.496900 | -8.287407 |
| HCO | -22.285837 | 0.429934 | 0.444700 | -9.266125 |
| HCl | -15.625330 | 0.164831 | 0.171000 | -3.871087 |
| HF | -24.935022 | 0.208413 | 0.226100 | -11.098820 |
| HOCl | -31.628720 | 0.245143 | 0.264700 | -12.272272 |
| Li2 | -0.432351 | 0.031357 | 0.038900 | -4.733448 |
| LiF | -24.637498 | 0.210638 | 0.222000 | -7.129861 |
| LiH | -0.795469 | 0.094726 | 0.092430 | 1.440471 |
| N2 | -19.950292 | 0.348162 | 0.364600 | -10.315058 |
| N2H4 | -22.282112 | 0.678996 | 0.699600 | -12.929499 |
| NH | -10.439126 | 0.137814 | 0.133500 | 2.707283 |
| NH2 | -11.093834 | 0.292276 | 0.290400 | 1.177336 |
| NH3 | -11.769157 | 0.467352 | 0.475500 | -5.113110 |
| NO | -25.955135 | 0.230992 | 0.244500 | -8.476416 |
| Na2 | -0.396296 | 0.022136 | 0.026800 | -2.926456 |
| NaCl | -15.295499 | 0.148166 | 0.157400 | -5.794155 |
| O2 | -32.025725 | 0.179569 | 0.192400 | -8.051430 |
| OH | -16.587322 | 0.163998 | 0.170200 | -3.892121 |
| P2 | -13.107901 | 0.178382 | 0.186000 | -4.780522 |
| PH2 | -7.719460 | 0.254207 | 0.244000 | 6.404796 |
| PH3 | -8.356920 | 0.391420 | 0.389000 | 1.518645 |
| S2 | -20.402174 | 0.158012 | 0.164000 | -3.757373 |
| SO | -26.235507 | 0.190348 | 0.200700 | -6.495673 |
| SO2 | -42.346045 | 0.377809 | 0.414400 | -22.961482 |
| Si2 | -7.649142 | 0.116040 | 0.121000 | -3.112604 |
| Si2H6 | -11.387458 | 0.852876 | 0.849000 | 2.432198 |
| SiH2_1A1 | -5.014671 | 0.247626 | 0.243000 | 2.903058 |
| SiH2_3B1 | -4.983754 | 0.216709 | 0.210000 | 4.210211 |
| SiH3 | -5.636906 | 0.369615 | 0.363000 | 4.150912 |
| SiH4 | -6.289854 | 0.522317 | 0.515000 | 4.591301 |
| SiO | -19.977315 | 0.287685 | 0.306700 | -11.931853 |
|---------+------------+----------+----------+------------|
| | | 7.27 | -5.77 | 6.63 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** $\mu=0$
**** CIPSI
#+NAME: tz-cipsi-0.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+------|
| Be | -0.995992 | | | | 5 |
| C | -5.415558 | | | | 15 |
| Cl | -14.940443 | | | | 16 |
| F | -24.189715 | | | | 31 |
| H | -0.500912 | | | | 1 |
| Li | -0.196167 | | | | 1 |
| N | -9.782786 | | | | 29 |
| Na | -0.181859 | | | | 1 |
| O | -15.894323 | | | | 49 |
| P | -6.462420 | | | | 13 |
| S | -10.109303 | | | | 19 |
| Si | -3.762540 | | | | 9 |
|---------+------------+----------+----------+------------+------|
| BeH | -1.578351 | 0.081447 | 0.079400 | 1.284579 | 13 |
| C2H2 | -12.486658 | 0.653717 | 0.642400 | 7.101799 | 47 |
| C2H4 | -13.734919 | 0.900154 | 0.899000 | 0.724062 | 95 |
| C2H6 | -14.964457 | 1.127868 | 1.136900 | -5.667860 | 191 |
| CH | -6.048645 | 0.132174 | 0.133900 | -1.082932 | 33 |
| CH2_1A1 | -6.697257 | 0.279875 | 0.288900 | -5.663400 | 47 |
| CH2_3B1 | -6.720982 | 0.303599 | 0.304100 | -0.314363 | 73 |
| CH3 | -7.404619 | 0.486325 | 0.490800 | -2.808176 | 72 |
| CH3Cl | -22.488560 | 0.629822 | 0.631000 | -0.738983 | 191 |
| CH4 | -8.079908 | 0.660702 | 0.670300 | -6.023073 | 95 |
| CN | -15.505024 | 0.306679 | 0.288800 | 11.219545 | 84 |
| CO | -21.732585 | 0.422703 | 0.413700 | 5.649403 | 95 |
| CO2 | -37.857754 | 0.653548 | 0.621400 | 20.173326 | 191 |
| CS | -15.808316 | 0.283454 | 0.274000 | 5.932583 | 95 |
| Cl2 | -29.988360 | 0.107474 | 0.094000 | 8.455052 | 47 |
| ClF | -39.243422 | 0.113264 | 0.100100 | 8.260677 | 95 |
| ClO | -30.958747 | 0.123980 | 0.104700 | 12.098658 | 240 |
| F2 | -48.456767 | 0.077338 | 0.062200 | 9.498968 | 47 |
| H2CO | -22.916997 | 0.605291 | 0.596700 | 5.390807 | 191 |
| H2O | -17.252411 | 0.356263 | 0.371900 | -9.812252 | 23 |
| H2O2 | -33.215957 | 0.425486 | 0.429400 | -2.455895 | 191 |
| H2S | -11.396005 | 0.284877 | 0.292000 | -4.469499 | 23 |
| H3COH | -24.124753 | 0.811223 | 0.818700 | -4.691679 | 383 |
| H3CSH | -18.278207 | 0.749697 | 0.757000 | -4.582609 | 383 |
| HCN | -16.210857 | 0.511600 | 0.496900 | 9.224172 | 95 |
| HCO | -22.269427 | 0.458633 | 0.444700 | 8.743064 | 299 |
| HCl | -15.608318 | 0.166963 | 0.171000 | -2.532958 | 11 |
| HF | -24.903995 | 0.213369 | 0.226100 | -7.988970 | 47 |
| HOCl | -31.605570 | 0.269892 | 0.264700 | 3.258070 | 191 |
| Li2 | -0.428677 | 0.036343 | 0.038900 | -1.604381 | 5 |
| LiF | -24.606297 | 0.220415 | 0.222000 | -0.994505 | 23 |
| LiH | -0.783411 | 0.086332 | 0.092430 | -3.826415 | 5 |
| N2 | -19.943963 | 0.378390 | 0.364600 | 8.653352 | 47 |
| N2H4 | -22.260976 | 0.691755 | 0.699600 | -4.922720 | 383 |
| NH | -10.418508 | 0.134810 | 0.133500 | 0.821781 | 81 |
| NH2 | -11.073200 | 0.288590 | 0.290400 | -1.136001 | 71 |
| NH3 | -11.750439 | 0.464916 | 0.475500 | -6.641476 | 23 |
| NO | -25.940809 | 0.263699 | 0.244500 | 12.047451 | 157 |
| Na2 | -0.393635 | 0.029917 | 0.026800 | 1.956080 | 5 |
| NaCl | -15.277559 | 0.155257 | 0.157400 | -1.344670 | 11 |
| O2 | -32.004245 | 0.215599 | 0.192400 | 14.557367 | 90 |
| OH | -16.560764 | 0.165529 | 0.170200 | -2.931389 | 73 |
| P2 | -13.116300 | 0.191460 | 0.186000 | 3.426198 | 23 |
| PH2 | -7.703892 | 0.239648 | 0.244000 | -2.730835 | 72 |
| PH3 | -8.339400 | 0.374244 | 0.389000 | -9.259387 | 47 |
| S2 | -20.400926 | 0.182319 | 0.164000 | 11.495056 | 91 |
| SO | -26.221277 | 0.217650 | 0.200700 | 10.636558 | 167 |
| SO2 | -42.334377 | 0.436426 | 0.414400 | 13.821823 | 384 |
| Si2 | -7.651773 | 0.126693 | 0.121000 | 3.572196 | 43 |
| Si2H6 | -11.345989 | 0.815437 | 0.849000 | -21.061197 | 191 |
| SiH2_1A1 | -4.997705 | 0.233341 | 0.243000 | -6.061354 | 47 |
| SiH2_3B1 | -4.968252 | 0.203888 | 0.210000 | -3.835575 | 67 |
| SiH3 | -5.612396 | 0.347120 | 0.363000 | -9.965140 | 137 |
| SiH4 | -6.259889 | 0.493701 | 0.515000 | -13.365151 | 95 |
| SiO | -19.964628 | 0.307765 | 0.306700 | 0.668260 | 47 |
|---------+------------+----------+----------+------------+------|
| | | 6.31 | 0.91 | 7.93 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: tz-dmc-0.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| Be | -0.997691 | 0.000015 | 0.000000 | 0.000021 | | | | 5 |
| C | -5.417028 | 0.000023 | 0.000000 | 0.000033 | | | | 15 |
| Cl | -14.941519 | 0.000042 | 0.000000 | 0.000060 | | | | 16 |
| F | -24.189637 | 0.000067 | 0.000000 | 0.000095 | | | | 31 |
| H | -0.500002 | 0.000008 | 0.000000 | 0.000011 | | | | 1 |
| Li | -0.196419 | 0.000002 | 0.000000 | 0.000003 | | | | 1 |
| N | -9.789446 | 0.000116 | 0.000000 | 0.000164 | | | | 29 |
| Na | -0.182142 | 0.000003 | 0.000000 | 0.000004 | | | | 1 |
| O | -15.893331 | 0.000156 | 0.000000 | 0.000220 | | | | 49 |
| P | -6.462465 | 0.000029 | 0.000000 | 0.000042 | | | | 13 |
| S | -10.108990 | 0.000033 | 0.000000 | 0.000047 | | | | 19 |
| Si | -3.758559 | 0.000026 | 0.000000 | 0.000037 | | | | 9 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| BeH | -1.587371 | 0.000685 | 0.089678 | 0.000685 | 0.079400 | 6.449530 | 0.430013 | 13 |
| C2H2 | -12.491119 | 0.000143 | 0.657059 | 0.000151 | 0.642400 | 9.198847 | 0.094977 | 47 |
| C2H4 | -13.744313 | 0.000153 | 0.910249 | 0.000163 | 0.899000 | 7.058664 | 0.102040 | 95 |
| C2H6 | -14.985780 | 0.000267 | 1.151713 | 0.000275 | 1.136900 | 9.295102 | 0.172290 | 191 |
| CH | -6.049921 | 0.000042 | 0.132891 | 0.000048 | 0.133900 | -0.633032 | 0.030199 | 33 |
| CH2_1A1 | -6.705087 | 0.000064 | 0.288055 | 0.000070 | 0.288900 | -0.530061 | 0.044019 | 47 |
| CH2_3B1 | -6.726587 | 0.000039 | 0.309555 | 0.000048 | 0.304100 | 3.423191 | 0.030193 | 73 |
| CH3 | -7.414304 | 0.000072 | 0.497270 | 0.000079 | 0.490800 | 4.060166 | 0.049375 | 72 |
| CH3Cl | -22.492938 | 0.000675 | 0.634386 | 0.000677 | 0.631000 | 2.124594 | 0.425075 | 191 |
| CH4 | -8.094450 | 0.000070 | 0.677415 | 0.000080 | 0.670300 | 4.464655 | 0.050041 | 95 |
| CN | -15.488826 | 0.000099 | 0.282352 | 0.000154 | 0.288800 | -4.046143 | 0.096917 | 84 |
| CO | -21.724654 | 0.000105 | 0.414295 | 0.000189 | 0.413700 | 0.373618 | 0.118741 | 95 |
| CO2 | -37.830280 | 0.000259 | 0.626591 | 0.000406 | 0.621400 | 3.257186 | 0.254561 | 191 |
| CS | -15.795598 | 0.000131 | 0.269580 | 0.000138 | 0.274000 | -2.773893 | 0.086306 | 95 |
| Cl2 | -29.976179 | 0.000188 | 0.093141 | 0.000206 | 0.094000 | -0.538747 | 0.129335 | 47 |
| ClF | -39.225737 | 0.000248 | 0.094581 | 0.000260 | 0.100100 | -3.463180 | 0.163182 | 95 |
| ClO | -30.932152 | 0.000271 | 0.097302 | 0.000315 | 0.104700 | -4.642333 | 0.197734 | 240 |
| F2 | -48.426862 | 0.001154 | 0.047588 | 0.001161 | 0.062200 | -9.169431 | 0.728730 | 47 |
| H2CO | -22.910378 | 0.000231 | 0.600016 | 0.000280 | 0.596700 | 2.080514 | 0.175622 | 191 |
| H2O | -17.256879 | 0.000058 | 0.363544 | 0.000167 | 0.371900 | -5.243288 | 0.104655 | 23 |
| H2O2 | -33.198133 | 0.000311 | 0.411468 | 0.000440 | 0.429400 | -11.252768 | 0.276385 | 191 |
| H2S | -11.398220 | 0.000062 | 0.289227 | 0.000072 | 0.292000 | -1.740360 | 0.045276 | 23 |
| H3COH | -24.131832 | 0.000446 | 0.821466 | 0.000474 | 0.818700 | 1.735401 | 0.297488 | 383 |
| H3CSH | -18.285696 | 0.000340 | 0.759671 | 0.000344 | 0.757000 | 1.676056 | 0.215762 | 383 |
| HCN | -16.206981 | 0.000106 | 0.500506 | 0.000159 | 0.496900 | 2.262684 | 0.099662 | 95 |
| HCO | -22.254871 | 0.000219 | 0.444511 | 0.000270 | 0.444700 | -0.118796 | 0.169367 | 299 |
| HCl | -15.611015 | 0.000052 | 0.169494 | 0.000067 | 0.171000 | -0.944764 | 0.042175 | 11 |
| HF | -24.908333 | 0.000114 | 0.218694 | 0.000133 | 0.226100 | -4.647615 | 0.083317 | 47 |
| HOCl | -31.591584 | 0.000264 | 0.256733 | 0.000310 | 0.264700 | -4.999669 | 0.194331 | 191 |
| Li2 | -0.427761 | 0.000012 | 0.034924 | 0.000013 | 0.038900 | -2.494725 | 0.007906 | 5 |
| LiF | -24.609167 | 0.000104 | 0.223111 | 0.000124 | 0.222000 | 0.697301 | 0.077810 | 23 |
| LiH | -0.788072 | 0.000014 | 0.091652 | 0.000016 | 0.092430 | -0.488367 | 0.010340 | 5 |
| N2 | -19.933846 | 0.000123 | 0.354955 | 0.000262 | 0.364600 | -6.052491 | 0.164617 | 47 |
| N2H4 | -22.262509 | 0.000229 | 0.683610 | 0.000327 | 0.699600 | -10.033741 | 0.205384 | 383 |
| NH | -10.418696 | 0.000055 | 0.129248 | 0.000129 | 0.133500 | -2.667891 | 0.080786 | 81 |
| NH2 | -11.075456 | 0.000060 | 0.286006 | 0.000131 | 0.290400 | -2.756996 | 0.082387 | 71 |
| NH3 | -11.758903 | 0.000071 | 0.469451 | 0.000138 | 0.475500 | -3.795498 | 0.086373 | 23 |
| NO | -25.914957 | 0.000143 | 0.232181 | 0.000241 | 0.244500 | -7.730181 | 0.151360 | 157 |
| Na2 | -0.391236 | 0.000015 | 0.026952 | 0.000016 | 0.026800 | 0.095162 | 0.009813 | 5 |
| NaCl | -15.281468 | 0.000073 | 0.157807 | 0.000084 | 0.157400 | 0.255489 | 0.052819 | 11 |
| O2 | -31.970240 | 0.000181 | 0.183579 | 0.000360 | 0.192400 | -5.535555 | 0.226038 | 90 |
| OH | -16.559080 | 0.000074 | 0.165748 | 0.000172 | 0.170200 | -2.793854 | 0.108167 | 73 |
| P2 | -13.100373 | 0.000070 | 0.175443 | 0.000091 | 0.186000 | -6.624373 | 0.057243 | 23 |
| PH2 | -7.704866 | 0.000059 | 0.242398 | 0.000068 | 0.244000 | -1.005493 | 0.042425 | 72 |
| PH3 | -8.344545 | 0.000060 | 0.382074 | 0.000071 | 0.389000 | -4.345991 | 0.044616 | 47 |
| S2 | -20.379447 | 0.000128 | 0.161467 | 0.000144 | 0.164000 | -1.589492 | 0.090531 | 91 |
| SO | -26.199816 | 0.000166 | 0.197496 | 0.000230 | 0.200700 | -2.010676 | 0.144225 | 167 |
| SO2 | -42.301927 | 0.000561 | 0.406276 | 0.000642 | 0.414400 | -5.097743 | 0.402960 | 384 |
| Si2 | -7.632480 | 0.000083 | 0.115361 | 0.000098 | 0.121000 | -3.538251 | 0.061258 | 43 |
| Si2H6 | -11.371770 | 0.000425 | 0.854641 | 0.000431 | 0.849000 | 3.539634 | 0.270357 | 191 |
| SiH2_1A1 | -5.002718 | 0.000059 | 0.244155 | 0.000066 | 0.243000 | 0.724775 | 0.041604 | 47 |
| SiH2_3B1 | -4.971805 | 0.000060 | 0.213242 | 0.000067 | 0.210000 | 2.034166 | 0.042232 | 67 |
| SiH3 | -5.623075 | 0.000093 | 0.364510 | 0.000100 | 0.363000 | 0.947580 | 0.062550 | 137 |
| SiH4 | -6.277757 | 0.000145 | 0.519191 | 0.000151 | 0.515000 | 2.629616 | 0.094560 | 95 |
| SiO | -19.955719 | 0.000131 | 0.303829 | 0.000205 | 0.306700 | -1.801746 | 0.128826 | 47 |
|---------+------------+----------+----------+----------+-----------+------------+----------+------|
| | 3.52 | 0.19 | -1.03 | 4.39 | 0.04 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1/4$
**** CIPSI
#+NAME: tz-cipsi-0.25
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+-------|
| Be | -0.994638 | | | | 13 |
| C | -5.418798 | | | | 18 |
| Cl | -14.939612 | | | | 127 |
| F | -24.191803 | | | | 31 |
| H | -0.498892 | | | | 1 |
| Li | -0.198879 | | | | 1 |
| N | -9.787920 | | | | 29 |
| Na | -0.184562 | | | | 1 |
| O | -15.896821 | | | | 42 |
| P | -6.462610 | | | | 61 |
| S | -10.108434 | | | | 122 |
| Si | -3.760535 | | | | 55 |
|---------+------------+----------+----------+------------+-------|
| BeH | -1.580067 | 0.086537 | 0.079400 | 4.478799 | 13 |
| C2H2 | -12.488247 | 0.652867 | 0.642400 | 6.568077 | 740 |
| C2H4 | -13.737941 | 0.904777 | 0.899000 | 3.625083 | 904 |
| C2H6 | -14.971590 | 1.140641 | 1.136900 | 2.347662 | 6100 |
| CH | -6.049247 | 0.131557 | 0.133900 | -1.470090 | 66 |
| CH2_1A1 | -6.698159 | 0.281577 | 0.288900 | -4.595339 | 171 |
| CH2_3B1 | -6.723904 | 0.307321 | 0.304100 | 2.021468 | 145 |
| CH3 | -7.407165 | 0.491690 | 0.490800 | 0.558782 | 162 |
| CH3Cl | -22.488919 | 0.633833 | 0.631000 | 1.777928 | 7505 |
| CH4 | -8.082097 | 0.667731 | 0.670300 | -1.612386 | 411 |
| CN | -15.500503 | 0.293785 | 0.288800 | 3.128016 | 631 |
| CO | -21.736860 | 0.421241 | 0.413700 | 4.731779 | 410 |
| CO2 | -37.860561 | 0.648121 | 0.621400 | 16.767976 | 1516 |
| CS | -15.801669 | 0.274437 | 0.274000 | 0.274226 | 2396 |
| Cl2 | -29.982036 | 0.102812 | 0.094000 | 5.529465 | 2816 |
| ClF | -39.243721 | 0.112307 | 0.100100 | 7.659794 | 795 |
| ClO | -30.955604 | 0.119172 | 0.104700 | 9.081158 | 1948 |
| F2 | -48.459597 | 0.075991 | 0.062200 | 8.654136 | 90 |
| H2CO | -22.920253 | 0.606850 | 0.596700 | 6.369094 | 763 |
| H2O | -17.255917 | 0.361313 | 0.371900 | -6.643652 | 47 |
| H2O2 | -33.221051 | 0.429625 | 0.429400 | 0.141428 | 673 |
| H2S | -11.392667 | 0.286450 | 0.292000 | -3.482939 | 337 |
| H3COH | -24.132017 | 0.820830 | 0.818700 | 1.336494 | 3021 |
| H3CSH | -18.278197 | 0.755397 | 0.757000 | -1.005804 | 16693 |
| HCN | -16.212193 | 0.506583 | 0.496900 | 6.076107 | 939 |
| HCO | -22.272113 | 0.457603 | 0.444700 | 8.096455 | 1414 |
| HCl | -15.606246 | 0.167743 | 0.171000 | -2.044105 | 184 |
| HF | -24.907592 | 0.216897 | 0.226100 | -5.775072 | 46 |
| HOCl | -31.605676 | 0.270351 | 0.264700 | 3.546025 | 1785 |
| Li2 | -0.427789 | 0.030031 | 0.038900 | -5.565398 | 11 |
| LiF | -24.612130 | 0.221448 | 0.222000 | -0.346485 | 23 |
| LiH | -0.785226 | 0.087455 | 0.092430 | -3.122037 | 5 |
| N2 | -19.946137 | 0.370297 | 0.364600 | 3.574839 | 206 |
| N2H4 | -22.267523 | 0.696115 | 0.699600 | -2.186674 | 10976 |
| NH | -10.420498 | 0.133686 | 0.133500 | 0.116507 | 83 |
| NH2 | -11.075118 | 0.289414 | 0.290400 | -0.618891 | 152 |
| NH3 | -11.753609 | 0.469013 | 0.475500 | -4.070381 | 192 |
| NO | -25.943535 | 0.258795 | 0.244500 | 8.969957 | 344 |
| Na2 | -0.390144 | 0.021020 | 0.026800 | -3.627266 | 11 |
| NaCl | -15.278156 | 0.153981 | 0.157400 | -2.145167 | 386 |
| O2 | -32.006548 | 0.212906 | 0.192400 | 12.867864 | 170 |
| OH | -16.563056 | 0.167343 | 0.170200 | -1.792747 | 78 |
| P2 | -13.101771 | 0.176550 | 0.186000 | -5.929775 | 2543 |
| PH2 | -7.700424 | 0.240030 | 0.244000 | -2.491448 | 610 |
| PH3 | -8.335707 | 0.376421 | 0.389000 | -7.893557 | 889 |
| S2 | -20.389744 | 0.172876 | 0.164000 | 5.569710 | 4209 |
| SO | -26.219941 | 0.214686 | 0.200700 | 8.776544 | 2239 |
| SO2 | -42.335431 | 0.433355 | 0.414400 | 11.894683 | 12283 |
| Si2 | -7.635373 | 0.114303 | 0.121000 | -4.202640 | 2332 |
| Si2H6 | -11.347478 | 0.833056 | 0.849000 | -10.005301 | 29250 |
| SiH2_1A1 | -4.994242 | 0.235923 | 0.243000 | -4.441145 | 302 |
| SiH2_3B1 | -4.967755 | 0.209435 | 0.210000 | -0.354267 | 269 |
| SiH3 | -5.612778 | 0.355567 | 0.363000 | -4.664510 | 1302 |
| SiH4 | -6.260591 | 0.504488 | 0.515000 | -6.596281 | 2019 |
| SiO | -19.964953 | 0.307597 | 0.306700 | 0.562795 | 845 |
|---------+------------+----------+----------+------------+-------|
| | | 4.58 | 1.06 | 5.72 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: tz-dmc-0.25
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+-------|
| Be | -1.001590 | 0.000043 | 0.000000 | 0.000061 | | | | 13 |
| C | -5.417927 | 0.000054 | 0.000000 | 0.000077 | | | | 18 |
| Cl | -14.944713 | 0.000094 | 0.000000 | 0.000132 | | | | 127 |
| F | -24.189771 | 0.000124 | 0.000000 | 0.000175 | | | | 31 |
| H | -0.500003 | 0.000003 | 0.000000 | 0.000005 | | | | 1 |
| Li | -0.196326 | 0.000001 | 0.000000 | 0.000002 | | | | 1 |
| N | -9.789147 | 0.000096 | 0.000000 | 0.000136 | | | | 29 |
| Na | -0.182144 | 0.000002 | 0.000000 | 0.000002 | | | | 1 |
| O | -15.892839 | 0.000100 | 0.000000 | 0.000141 | | | | 42 |
| P | -6.464868 | 0.000110 | 0.000000 | 0.000155 | | | | 61 |
| S | -10.111848 | 0.000104 | 0.000000 | 0.000147 | | | | 122 |
| Si | -3.760170 | 0.000093 | 0.000000 | 0.000131 | | | | 55 |
|---------+------------+----------+----------+----------+-----------+------------+----------+-------|
| BeH | -1.587681 | 0.000968 | 0.086088 | 0.000969 | 0.079400 | 4.196953 | 0.608289 | 13 |
| C2H2 | -12.494217 | 0.000740 | 0.658358 | 0.000748 | 0.642400 | 10.013558 | 0.469329 | 740 |
| C2H4 | -13.746026 | 0.000731 | 0.910159 | 0.000739 | 0.899000 | 7.002674 | 0.463846 | 904 |
| C2H6 | -14.985624 | 0.001553 | 1.149751 | 0.001557 | 1.136900 | 8.064219 | 0.977011 | 6100 |
| CH | -6.051869 | 0.000149 | 0.133939 | 0.000158 | 0.133900 | 0.024473 | 0.099450 | 66 |
| CH2_1A1 | -6.707438 | 0.000168 | 0.289504 | 0.000177 | 0.288900 | 0.379233 | 0.110949 | 171 |
| CH2_3B1 | -6.727000 | 0.000195 | 0.309066 | 0.000202 | 0.304100 | 3.116501 | 0.127051 | 145 |
| CH3 | -7.414502 | 0.000267 | 0.496566 | 0.000273 | 0.490800 | 3.618093 | 0.171155 | 162 |
| CH3Cl | -22.497204 | 0.000814 | 0.634555 | 0.000821 | 0.631000 | 2.230530 | 0.515259 | 7505 |
| CH4 | -8.094889 | 0.000260 | 0.676949 | 0.000266 | 0.670300 | 4.172378 | 0.166671 | 411 |
| CN | -15.493316 | 0.000323 | 0.286242 | 0.000342 | 0.288800 | -1.605145 | 0.214493 | 631 |
| CO | -21.727277 | 0.000591 | 0.416512 | 0.000602 | 0.413700 | 1.764715 | 0.377752 | 410 |
| CO2 | -37.834494 | 0.001061 | 0.630891 | 0.001081 | 0.621400 | 5.955412 | 0.678100 | 1516 |
| CS | -15.801754 | 0.000473 | 0.271980 | 0.000487 | 0.274000 | -1.267778 | 0.305696 | 2396 |
| Cl2 | -29.983444 | 0.000262 | 0.094019 | 0.000322 | 0.094000 | 0.011860 | 0.202027 | 2816 |
| ClF | -39.230571 | 0.001266 | 0.096087 | 0.001275 | 0.100100 | -2.518353 | 0.800330 | 795 |
| ClO | -30.938412 | 0.001326 | 0.100861 | 0.001333 | 0.104700 | -2.409223 | 0.836426 | 1948 |
| F2 | -48.427172 | 0.001422 | 0.047629 | 0.001443 | 0.062200 | -9.143526 | 0.905584 | 90 |
| H2CO | -22.912668 | 0.000971 | 0.601896 | 0.000978 | 0.596700 | 3.260448 | 0.613736 | 763 |
| H2O | -17.256742 | 0.000138 | 0.363897 | 0.000170 | 0.371900 | -5.021915 | 0.106972 | 47 |
| H2O2 | -33.198202 | 0.001182 | 0.412518 | 0.001199 | 0.429400 | -10.593674 | 0.752184 | 673 |
| H2S | -11.401024 | 0.000473 | 0.289170 | 0.000485 | 0.292000 | -1.775791 | 0.304069 | 337 |
| H3COH | -24.134729 | 0.001455 | 0.823950 | 0.001459 | 0.818700 | 3.294480 | 0.915545 | 3021 |
| H3CSH | -18.292972 | 0.003027 | 0.763185 | 0.003029 | 0.757000 | 3.881053 | 1.900931 | 16693 |
| HCN | -16.209478 | 0.000514 | 0.502401 | 0.000525 | 0.496900 | 3.451700 | 0.329653 | 939 |
| HCO | -22.258099 | 0.001179 | 0.447330 | 0.001185 | 0.444700 | 1.650410 | 0.743419 | 1414 |
| HCl | -15.614199 | 0.000231 | 0.169483 | 0.000249 | 0.171000 | -0.951770 | 0.156484 | 184 |
| HF | -24.908326 | 0.000208 | 0.218551 | 0.000242 | 0.226100 | -4.737052 | 0.151753 | 46 |
| HOCl | -31.595232 | 0.000915 | 0.257677 | 0.000925 | 0.264700 | -4.406973 | 0.580448 | 1785 |
| Li2 | -0.430590 | 0.000038 | 0.037938 | 0.000038 | 0.038900 | -0.603381 | 0.023999 | 11 |
| LiF | -24.609057 | 0.000282 | 0.222960 | 0.000308 | 0.222000 | 0.602284 | 0.193372 | 23 |
| LiH | -0.788100 | 0.000043 | 0.091771 | 0.000043 | 0.092430 | -0.413476 | 0.027256 | 5 |
| N2 | -19.936311 | 0.000241 | 0.358017 | 0.000309 | 0.364600 | -4.130596 | 0.193700 | 206 |
| N2H4 | -22.258558 | 0.003514 | 0.680251 | 0.003519 | 0.699600 | -12.141860 | 2.208304 | 10976 |
| NH | -10.419077 | 0.000161 | 0.129926 | 0.000187 | 0.133500 | -2.242480 | 0.117556 | 83 |
| NH2 | -11.075986 | 0.000352 | 0.286832 | 0.000365 | 0.290400 | -2.238731 | 0.229197 | 152 |
| NH3 | -11.759396 | 0.000193 | 0.470239 | 0.000216 | 0.475500 | -3.301221 | 0.135443 | 192 |
| NO | -25.917099 | 0.000589 | 0.235113 | 0.000605 | 0.244500 | -5.890165 | 0.379432 | 344 |
| Na2 | -0.390920 | 0.000014 | 0.026633 | 0.000015 | 0.026800 | -0.104782 | 0.009254 | 11 |
| NaCl | -15.285027 | 0.000353 | 0.158171 | 0.000365 | 0.157400 | 0.483649 | 0.229282 | 386 |
| O2 | -31.972286 | 0.000872 | 0.186609 | 0.000894 | 0.192400 | -3.634100 | 0.561121 | 170 |
| OH | -16.559185 | 0.000093 | 0.166343 | 0.000137 | 0.170200 | -2.420451 | 0.085823 | 78 |
| P2 | -13.106552 | 0.000585 | 0.176816 | 0.000625 | 0.186000 | -5.762973 | 0.392082 | 2543 |
| PH2 | -7.707343 | 0.000267 | 0.242468 | 0.000288 | 0.244000 | -0.961238 | 0.180987 | 610 |
| PH3 | -8.346722 | 0.000297 | 0.381844 | 0.000317 | 0.389000 | -4.490361 | 0.199092 | 889 |
| S2 | -20.383884 | 0.000874 | 0.160189 | 0.000899 | 0.164000 | -2.391634 | 0.563876 | 4209 |
| SO | -26.204030 | 0.000807 | 0.199344 | 0.000820 | 0.200700 | -0.851098 | 0.514585 | 2239 |
| SO2 | -42.296103 | 0.005871 | 0.398578 | 0.005875 | 0.414400 | -9.928614 | 3.686681 | 12283 |
| Si2 | -7.636762 | 0.000526 | 0.116423 | 0.000558 | 0.121000 | -2.872118 | 0.350000 | 2332 |
| Si2H6 | -11.374302 | 0.001091 | 0.853943 | 0.001107 | 0.849000 | 3.101642 | 0.694596 | 29250 |
| SiH2_1A1 | -5.004371 | 0.000299 | 0.244195 | 0.000313 | 0.243000 | 0.750010 | 0.196653 | 302 |
| SiH2_3B1 | -4.973388 | 0.000238 | 0.213212 | 0.000256 | 0.210000 | 2.015474 | 0.160451 | 269 |
| SiH3 | -5.625027 | 0.000373 | 0.364848 | 0.000385 | 0.363000 | 1.159498 | 0.241336 | 1302 |
| SiH4 | -6.279817 | 0.000685 | 0.519634 | 0.000691 | 0.515000 | 2.908075 | 0.433856 | 2019 |
| SiO | -19.958859 | 0.000768 | 0.305851 | 0.000780 | 0.306700 | -0.532719 | 0.489741 | 845 |
|---------+------------+----------+----------+----------+-----------+------------+----------+-------|
| | 3.39 | 0.77 | -0.59 | 4.44 | 0.34 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1/2$
**** CIPSI
#+NAME: tz-cipsi-0.50
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+---------|
| Be | -0.998262 | | | | 11 |
| C | -5.426287 | | | | 142 |
| Cl | -14.945871 | | | | 1745 |
| F | -24.216187 | | | | 332 |
| H | -0.502296 | | | | 1 |
| Li | -0.196739 | | | | 1 |
| N | -9.802906 | | | | 278 |
| Na | -0.182371 | | | | 1 |
| O | -15.914975 | | | | 369 |
| P | -6.465047 | | | | 659 |
| S | -10.111838 | | | | 1094 |
| Si | -3.759602 | | | | 273 |
|---------+------------+----------+----------+------------+---------|
| BeH | -1.582425 | 0.081867 | 0.079400 | 1.547929 | 141 |
| C2H2 | -12.491868 | 0.634701 | 0.642400 | -4.831432 | 24583 |
| C2H4 | -13.744979 | 0.883220 | 0.899000 | -9.902176 | 48984 |
| C2H6 | -14.984867 | 1.118515 | 1.136900 | -11.536821 | 387245 |
| CH | -6.054906 | 0.126323 | 0.133900 | -4.754955 | 1207 |
| CH2_1A1 | -6.704228 | 0.273349 | 0.288900 | -9.758615 | 1463 |
| CH2_3B1 | -6.732656 | 0.301776 | 0.304100 | -1.458423 | 2609 |
| CH3 | -7.415705 | 0.482530 | 0.490800 | -5.189750 | 3357 |
| CH3Cl | -22.496886 | 0.617839 | 0.631000 | -8.258935 | 401797 |
| CH4 | -8.091636 | 0.656164 | 0.670300 | -8.870454 | 27417 |
| CN | -15.500623 | 0.271430 | 0.288800 | -10.899857 | 22915 |
| CO | -21.746748 | 0.405486 | 0.413700 | -5.154533 | 10430 |
| CO2 | -37.874991 | 0.618753 | 0.621400 | -1.660920 | 92560 |
| CS | -15.799741 | 0.261616 | 0.274000 | -7.771368 | 149631 |
| Cl2 | -29.984427 | 0.092684 | 0.094000 | -0.825724 | 188008 |
| ClF | -39.259993 | 0.097935 | 0.100100 | -1.358376 | 46952 |
| ClO | -30.961899 | 0.101053 | 0.104700 | -2.288617 | 87113 |
| F2 | -48.486273 | 0.053899 | 0.062200 | -5.208688 | 8432 |
| H2CO | -22.931847 | 0.585993 | 0.596700 | -6.719052 | 43317 |
| H2O | -17.271322 | 0.351755 | 0.371900 | -12.641249 | 1685 |
| H2O2 | -33.239150 | 0.404607 | 0.429400 | -15.557645 | 91645 |
| H2S | -11.395645 | 0.279215 | 0.292000 | -8.022687 | 5996 |
| H3COH | -24.150723 | 0.800276 | 0.818700 | -11.561197 | 145275 |
| H3CSH | -18.285085 | 0.737775 | 0.757000 | -12.063768 | 1661290 |
| HCN | -16.216291 | 0.484802 | 0.496900 | -7.591671 | 37520 |
| HCO | -22.281172 | 0.437613 | 0.444700 | -4.447041 | 103416 |
| HCl | -15.611645 | 0.163478 | 0.171000 | -4.720164 | 6332 |
| HF | -24.930165 | 0.211682 | 0.226100 | -9.047528 | 1228 |
| HOCl | -31.616075 | 0.252932 | 0.264700 | -7.384381 | 97849 |
| Li2 | -0.429005 | 0.035528 | 0.038900 | -2.116218 | 11 |
| LiF | -24.633580 | 0.220654 | 0.222000 | -0.844350 | 881 |
| LiH | -0.785530 | 0.086495 | 0.092430 | -3.724376 | 11 |
| N2 | -19.952279 | 0.346468 | 0.364600 | -11.377891 | 8914 |
| N2H4 | -22.281405 | 0.666410 | 0.699600 | -20.827273 | 202086 |
| NH | -10.431265 | 0.126064 | 0.133500 | -4.666383 | 1194 |
| NH2 | -11.085105 | 0.277607 | 0.290400 | -8.027840 | 4200 |
| NH3 | -11.764141 | 0.454347 | 0.475500 | -13.273966 | 6186 |
| NO | -25.953965 | 0.236084 | 0.244500 | -5.280981 | 22374 |
| Na2 | -0.389555 | 0.024814 | 0.026800 | -1.246371 | 11 |
| NaCl | -15.283496 | 0.155254 | 0.157400 | -1.346838 | 5758 |
| O2 | -32.020282 | 0.190331 | 0.192400 | -1.298124 | 19081 |
| OH | -16.579077 | 0.161805 | 0.170200 | -5.267788 | 1692 |
| P2 | -13.097941 | 0.167847 | 0.186000 | -11.390941 | 220607 |
| PH2 | -7.702488 | 0.232850 | 0.244000 | -6.997041 | 7371 |
| PH3 | -8.338959 | 0.367024 | 0.389000 | -13.790226 | 25692 |
| S2 | -20.386929 | 0.163252 | 0.164000 | -0.469184 | 1342830 |
| SO | -26.225340 | 0.198527 | 0.200700 | -1.363889 | 145468 |
| SO2 | -42.344413 | 0.402624 | 0.414400 | -7.389652 | 1389460 |
| Si2 | -7.631560 | 0.112356 | 0.121000 | -5.423939 | 139264 |
| Si2H6 | -11.359756 | 0.826776 | 0.849000 | -13.946087 | 6730478 |
| SiH2_1A1 | -4.996287 | 0.232093 | 0.243000 | -6.844398 | 3641 |
| SiH2_3B1 | -4.971317 | 0.207123 | 0.210000 | -1.805359 | 4235 |
| SiH3 | -5.618778 | 0.352288 | 0.363000 | -6.722127 | 20069 |
| SiH4 | -6.269140 | 0.500354 | 0.515000 | -9.190360 | 41778 |
| SiO | -19.970646 | 0.296069 | 0.306700 | -6.671243 | 26149 |
|---------+------------+----------+----------+------------+---------|
| | | 6.77 | -6.71 | 4.56 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC without Jastrow
| | Total E | | Delta E | | Reference | Error | |
| | Hartree | | Hartree | | Hartree | kcal/mol | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| Be | -1.007273 | 0.000009 | | | | | |
| C | -5.422968 | 0.000059 | | | | | |
| Cl | -14.953296 | 0.000209 | | | | | |
| F | -24.191160 | 0.000154 | | | | | |
| H | -0.500003 | 0.000003 | | | | | |
| Li | -0.196326 | 0.000001 | | | | | |
| N | -9.791066 | 0.000107 | | | | | |
| Na | -0.182144 | 0.000002 | | | | | |
| O | -15.894932 | 0.000153 | | | | | |
| P | -6.470170 | 0.000104 | | | | | |
| S | -10.118934 | 0.000134 | | | | | |
| Si | -3.763979 | 0.000054 | | | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| C2H2 | -12.494688 | 0.001235 | 0.648746 | 0.001241 | 0.642400 | 3.982276 | 0.778450 |
| C2H4 | -13.747089 | 0.000912 | 0.901140 | 0.000920 | 0.899000 | 1.343007 | 0.577336 |
| C2H6 | -14.985170 | 0.001895 | 1.139215 | 0.001899 | 1.136900 | 1.452418 | 1.191346 |
| CH | -6.056925 | 0.000143 | 0.133954 | 0.000155 | 0.133900 | 0.033677 | 0.097047 |
| CH2_1A1 | -6.712542 | 0.000231 | 0.289567 | 0.000239 | 0.288900 | 0.418832 | 0.149699 |
| CH2_3B1 | -6.728932 | 0.000180 | 0.305958 | 0.000190 | 0.304100 | 1.165904 | 0.118975 |
| CH3 | -7.415797 | 0.000290 | 0.492820 | 0.000296 | 0.490800 | 1.267433 | 0.185621 |
| CH3Cl | -22.505354 | 0.001446 | 0.629080 | 0.001463 | 0.631000 | -1.204557 | 0.917741 |
| CH4 | -8.096248 | 0.000660 | 0.673268 | 0.000663 | 0.670300 | 1.862189 | 0.416055 |
| CN | -15.503306 | 0.000713 | 0.289272 | 0.000724 | 0.288800 | 0.296287 | 0.454036 |
| CO | -21.733058 | 0.000647 | 0.415158 | 0.000667 | 0.413700 | 0.915093 | 0.418591 |
| CO2 | -37.835639 | 0.001461 | 0.622807 | 0.001494 | 0.621400 | 0.882948 | 0.937235 |
| CS | -15.813849 | 0.001321 | 0.271948 | 0.001329 | 0.274000 | -1.287607 | 0.833910 |
| Cl2 | -29.999495 | 0.000811 | 0.092903 | 0.000912 | 0.094000 | -0.688477 | 0.572592 |
| ClF | -39.240347 | 0.001286 | 0.095891 | 0.001312 | 0.100100 | -2.641149 | 0.823116 |
| ClO | -30.948563 | 0.000697 | 0.100335 | 0.000744 | 0.104700 | -2.739001 | 0.466689 |
| F2 | -48.436023 | 0.001138 | 0.053704 | 0.001179 | 0.062200 | -5.331380 | 0.740021 |
| H2CO | -22.915040 | 0.001390 | 0.597134 | 0.001400 | 0.596700 | 0.272229 | 0.878441 |
| H2O | -17.257413 | 0.000339 | 0.362474 | 0.000372 | 0.371900 | -5.914913 | 0.233416 |
| H2O2 | -33.203269 | 0.001407 | 0.413398 | 0.001439 | 0.429400 | -10.041147 | 0.903240 |
| H2S | -11.408073 | 0.000327 | 0.289133 | 0.000354 | 0.292000 | -1.799156 | 0.221884 |
| H3COH | -24.131302 | 0.001079 | 0.813389 | 0.001091 | 0.818700 | -3.332420 | 0.684594 |
| H3CSH | -18.295769 | 0.002132 | 0.753855 | 0.002137 | 0.757000 | -1.973515 | 1.340994 |
| HCN | -16.215590 | 0.000516 | 0.501553 | 0.000530 | 0.496900 | 2.919772 | 0.332894 |
| HCO | -22.262855 | 0.000653 | 0.444952 | 0.000673 | 0.444700 | 0.157981 | 0.422590 |
| HCl | -15.623938 | 0.000347 | 0.170638 | 0.000405 | 0.171000 | -0.226874 | 0.254259 |
| HF | -24.909404 | 0.000297 | 0.218241 | 0.000335 | 0.226100 | -4.931461 | 0.209988 |
| HOCl | -31.605993 | 0.002131 | 0.257761 | 0.002147 | 0.264700 | -4.354028 | 1.346990 |
| Li2 | -0.431440 | 0.000008 | 0.038788 | 0.000008 | 0.038900 | -0.070155 | 0.005267 |
| LiF | -24.610538 | 0.000294 | 0.223053 | 0.000332 | 0.222000 | 0.660455 | 0.208127 |
| LiH | -0.788315 | 0.000019 | 0.091986 | 0.000020 | 0.092430 | -0.278642 | 0.012388 |
| N2 | -19.943693 | 0.000729 | 0.361561 | 0.000760 | 0.364600 | -1.907298 | 0.477133 |
| N2H4 | -22.265700 | 0.000962 | 0.683554 | 0.000986 | 0.699600 | -10.068869 | 0.618588 |
| NH | -10.420721 | 0.000217 | 0.129651 | 0.000242 | 0.133500 | -2.415160 | 0.152002 |
| NH2 | -11.077790 | 0.000288 | 0.286717 | 0.000307 | 0.290400 | -2.310806 | 0.192766 |
| NH3 | -11.760358 | 0.000449 | 0.469282 | 0.000462 | 0.475500 | -3.901685 | 0.289631 |
| NO | -25.923592 | 0.000854 | 0.237593 | 0.000874 | 0.244500 | -4.333962 | 0.548545 |
| Na2 | -0.391055 | 0.000005 | 0.026768 | 0.000006 | 0.026800 | -0.020205 | 0.003912 |
| NaCl | -15.293398 | 0.000342 | 0.157958 | 0.000401 | 0.157400 | 0.349899 | 0.251619 |
| O2 | -31.976905 | 0.001067 | 0.187040 | 0.001110 | 0.192400 | -3.363144 | 0.696373 |
| OH | -16.560082 | 0.000235 | 0.165146 | 0.000280 | 0.170200 | -3.171243 | 0.175821 |
| P2 | -13.116811 | 0.000986 | 0.176472 | 0.001008 | 0.186000 | -5.978864 | 0.632247 |
| PH2 | -7.712944 | 0.000335 | 0.242768 | 0.000351 | 0.244000 | -0.772977 | 0.220325 |
| PH3 | -8.352406 | 0.000430 | 0.382227 | 0.000442 | 0.389000 | -4.250335 | 0.277514 |
| S2 | -20.401970 | 0.001287 | 0.164103 | 0.001314 | 0.164000 | 0.064341 | 0.824779 |
| SO | -26.211899 | 0.000713 | 0.198033 | 0.000742 | 0.200700 | -1.673620 | 0.465348 |
| SO2 | -42.321035 | 0.001403 | 0.412237 | 0.001442 | 0.414400 | -1.357073 | 0.905064 |
| Si2 | -7.643183 | 0.000914 | 0.115225 | 0.000920 | 0.121000 | -3.623714 | 0.577273 |
| Si2H6 | -11.372307 | 0.001113 | 0.844329 | 0.001118 | 0.849000 | -2.930841 | 0.701582 |
| SiH2_1A1 | -5.008728 | 0.000218 | 0.244743 | 0.000224 | 0.243000 | 1.093599 | 0.140808 |
| SiH2_3B1 | -4.976426 | 0.000188 | 0.212441 | 0.000196 | 0.210000 | 1.531464 | 0.122724 |
| SiH3 | -5.628312 | 0.000438 | 0.364323 | 0.000441 | 0.363000 | 0.829994 | 0.276744 |
| SiH4 | -6.282931 | 0.000659 | 0.518938 | 0.000661 | 0.515000 | 2.471428 | 0.414901 |
| SiO | -19.963617 | 0.001184 | 0.304706 | 0.001195 | 0.306700 | -1.251553 | 0.749863 |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | | | | | | 2.30 | 0.60 |
#+TBLFM: @>$7='(org-sbe "madformula" (data @5$7..@>>$7) ) :: @>$8='(org-sbe "maderrformula" (data @5$8..@>>$8) )
**** DMC
#+NAME: tz-dmc-0.50
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+---------|
| Be | -1.007279 | 0.000010 | | | | | | 11 |
| C | -5.423300 | 0.000028 | | | | | | 142 |
| Cl | -14.952683 | 0.000062 | | | | | | 1745 |
| F | -24.190436 | 0.000075 | | | | | | 332 |
| H | -0.499985 | 0.000011 | | | | | | 1 |
| Li | -0.196399 | 0.000005 | | | | | | 1 |
| N | -9.790924 | 0.000035 | | | | | | 278 |
| Na | -0.182137 | 0.000007 | | | | | | 1 |
| O | -15.894747 | 0.000067 | | | | | | 369 |
| P | -6.470037 | 0.000035 | | | | | | 659 |
| S | -10.119025 | 0.000035 | | | | | | 1094 |
| Si | -3.763903 | 0.000028 | | | | | | 273 |
|---------+------------+----------+----------+----------+-----------+------------+----------+---------|
| BeH | -1.588032 | 0.000589 | 0.080752 | 0.000589 | 0.079400 | 0.848293 | 0.369822 | 141 |
| C2H2 | -12.496830 | 0.000139 | 0.650259 | 0.000151 | 0.642400 | 4.931311 | 0.094797 | 24583 |
| C2H4 | -13.748335 | 0.000253 | 0.901793 | 0.000263 | 0.899000 | 1.752944 | 0.165097 | 48984 |
| C2H6 | -14.985987 | 0.000354 | 1.139475 | 0.000364 | 1.136900 | 1.616022 | 0.228669 | 387245 |
| CH | -6.057005 | 0.000034 | 0.133720 | 0.000045 | 0.133900 | -0.113147 | 0.028276 | 1207 |
| CH2_1A1 | -6.712121 | 0.000156 | 0.288850 | 0.000160 | 0.288900 | -0.031542 | 0.100246 | 1463 |
| CH2_3B1 | -6.728900 | 0.000059 | 0.305629 | 0.000069 | 0.304100 | 0.959761 | 0.043049 | 2609 |
| CH3 | -7.415471 | 0.000072 | 0.492215 | 0.000084 | 0.490800 | 0.888074 | 0.052768 | 3357 |
| CH3Cl | -22.505299 | 0.000372 | 0.629360 | 0.000380 | 0.631000 | -1.029174 | 0.238397 | 401797 |
| CH4 | -8.094962 | 0.000117 | 0.671721 | 0.000128 | 0.670300 | 0.891799 | 0.080400 | 27417 |
| CN | -15.501002 | 0.000128 | 0.286778 | 0.000135 | 0.288800 | -1.268868 | 0.085020 | 22915 |
| CO | -21.732238 | 0.000207 | 0.414190 | 0.000220 | 0.413700 | 0.307489 | 0.137747 | 10430 |
| CO2 | -37.834814 | 0.000405 | 0.622019 | 0.000427 | 0.621400 | 0.388267 | 0.268207 | 92560 |
| CS | -15.813266 | 0.000148 | 0.270940 | 0.000154 | 0.274000 | -1.920002 | 0.096742 | 149631 |
| Cl2 | -29.998521 | 0.000254 | 0.093154 | 0.000283 | 0.094000 | -0.530997 | 0.177333 | 188008 |
| ClF | -39.237751 | 0.000529 | 0.094632 | 0.000538 | 0.100100 | -3.431508 | 0.337383 | 46952 |
| ClO | -30.946811 | 0.000668 | 0.099381 | 0.000675 | 0.104700 | -3.337889 | 0.423311 | 87113 |
| F2 | -48.431519 | 0.000442 | 0.050646 | 0.000466 | 0.062200 | -7.250132 | 0.292662 | 8432 |
| H2CO | -22.914978 | 0.000451 | 0.596960 | 0.000457 | 0.596700 | 0.163005 | 0.286691 | 43317 |
| H2O | -17.256930 | 0.000133 | 0.362213 | 0.000150 | 0.371900 | -6.078877 | 0.094134 | 1685 |
| H2O2 | -33.202255 | 0.000303 | 0.412790 | 0.000332 | 0.429400 | -10.422696 | 0.208441 | 91645 |
| H2S | -11.408279 | 0.000096 | 0.289284 | 0.000105 | 0.292000 | -1.704594 | 0.065613 | 5996 |
| H3COH | -24.131103 | 0.000308 | 0.813114 | 0.000320 | 0.818700 | -3.505144 | 0.200689 | 145275 |
| H3CSH | -18.294959 | 0.000174 | 0.752693 | 0.000185 | 0.757000 | -2.702788 | 0.116026 | 1661290 |
| HCN | -16.213835 | 0.000178 | 0.499625 | 0.000183 | 0.496900 | 1.710061 | 0.115079 | 37520 |
| HCO | -22.261112 | 0.000252 | 0.443079 | 0.000262 | 0.444700 | -1.017257 | 0.164520 | 103416 |
| HCl | -15.622819 | 0.000098 | 0.170150 | 0.000117 | 0.171000 | -0.533467 | 0.073175 | 6332 |
| HF | -24.907600 | 0.000195 | 0.217179 | 0.000209 | 0.226100 | -5.598263 | 0.131401 | 1228 |
| HOCl | -31.604134 | 0.000421 | 0.256718 | 0.000431 | 0.264700 | -5.008728 | 0.270249 | 97849 |
| Li2 | -0.431447 | 0.000021 | 0.038648 | 0.000024 | 0.038900 | -0.157824 | 0.014916 | 11 |
| LiF | -24.608673 | 0.000148 | 0.221837 | 0.000166 | 0.222000 | -0.102139 | 0.104155 | 881 |
| LiH | -0.788327 | 0.000040 | 0.091942 | 0.000041 | 0.092430 | -0.306019 | 0.026010 | 11 |
| N2 | -19.941389 | 0.000208 | 0.359541 | 0.000219 | 0.364600 | -3.174437 | 0.137387 | 8914 |
| N2H4 | -22.263237 | 0.000279 | 0.681449 | 0.000291 | 0.699600 | -11.390179 | 0.182758 | 202086 |
| NH | -10.420457 | 0.000137 | 0.129548 | 0.000142 | 0.133500 | -2.479749 | 0.088842 | 1194 |
| NH2 | -11.077395 | 0.000094 | 0.286500 | 0.000103 | 0.290400 | -2.447085 | 0.064421 | 4200 |
| NH3 | -11.759862 | 0.000048 | 0.468983 | 0.000068 | 0.475500 | -4.089655 | 0.042624 | 6186 |
| NO | -25.922931 | 0.000257 | 0.237260 | 0.000268 | 0.244500 | -4.543008 | 0.168125 | 22374 |
| Na2 | -0.391058 | 0.000020 | 0.026784 | 0.000024 | 0.026800 | -0.010004 | 0.015159 | 11 |
| NaCl | -15.292371 | 0.000103 | 0.157551 | 0.000121 | 0.157400 | 0.094553 | 0.075647 | 5758 |
| O2 | -31.976012 | 0.000258 | 0.186517 | 0.000290 | 0.192400 | -3.691362 | 0.181988 | 19081 |
| OH | -16.560473 | 0.000068 | 0.165740 | 0.000096 | 0.170200 | -2.798447 | 0.060214 | 1692 |
| P2 | -13.118336 | 0.000191 | 0.178262 | 0.000204 | 0.186000 | -4.855680 | 0.127801 | 220607 |
| PH2 | -7.712593 | 0.000079 | 0.242586 | 0.000089 | 0.244000 | -0.887604 | 0.055943 | 7371 |
| PH3 | -8.351722 | 0.000110 | 0.381730 | 0.000120 | 0.389000 | -4.562036 | 0.075358 | 25692 |
| S2 | -20.398476 | 0.000149 | 0.160426 | 0.000164 | 0.164000 | -2.242847 | 0.103092 | 1342830 |
| SO | -26.210784 | 0.000392 | 0.197012 | 0.000399 | 0.200700 | -2.314168 | 0.250272 | 145468 |
| SO2 | -42.314560 | 0.000791 | 0.406040 | 0.000803 | 0.414400 | -5.245835 | 0.504063 | 1389460 |
| Si2 | -7.644133 | 0.000079 | 0.116326 | 0.000097 | 0.121000 | -2.932796 | 0.060904 | 139264 |
| Si2H6 | -11.378951 | 0.000240 | 0.851233 | 0.000256 | 0.849000 | 1.401391 | 0.160643 | 6730478 |
| SiH2_1A1 | -5.008642 | 0.000074 | 0.244769 | 0.000083 | 0.243000 | 1.109872 | 0.051919 | 3641 |
| SiH2_3B1 | -4.976342 | 0.000071 | 0.212469 | 0.000080 | 0.210000 | 1.549174 | 0.050184 | 4235 |
| SiH3 | -5.627411 | 0.000065 | 0.363552 | 0.000079 | 0.363000 | 0.346558 | 0.049341 | 20069 |
| SiH4 | -6.281142 | 0.000138 | 0.517298 | 0.000148 | 0.515000 | 1.442121 | 0.092620 | 41778 |
| SiO | -19.963472 | 0.000273 | 0.304821 | 0.000282 | 0.306700 | -1.178797 | 0.177217 | 26149 |
|---------+------------+----------+----------+----------+-----------+------------+----------+---------|
| | 2.46 | 0.18 | -1.72 | 3.02 | 0.06 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** $\mu=1$
**** CIPSI
#+NAME: tz-cipsi-1.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+----------|
| Be | -1.004590 | | | | 10 |
| C | -5.426316 | | | | 595 |
| Cl | -14.950775 | | | | 14342 |
| F | -24.226718 | | | | 2075 |
| H | -0.500912 | | | | 1 |
| Li | -0.196167 | | | | 1 |
| N | -9.805482 | | | | 1010 |
| Na | -0.181859 | | | | 1 |
| O | -15.916920 | | | | 2197 |
| P | -6.468202 | | | | 2442 |
| S | -10.115949 | | | | 10386 |
| Si | -3.761555 | | | | 1077 |
|---------+------------+----------+----------+------------+----------|
| BeH | -1.581295 | 0.075793 | 0.079400 | -2.263666 | 433 |
| C2H2 | -12.488261 | 0.633806 | 0.642400 | -5.392909 | 1724878 |
| C2H4 | -13.740253 | 0.883973 | 0.899000 | -9.429309 | 10195715 |
| C2H6 | -14.974869 | 1.116766 | 1.136900 | -12.634429 | 1342000 |
| CH | -6.054007 | 0.126780 | 0.133900 | -4.468142 | 8664 |
| CH2_1A1 | -6.704677 | 0.276538 | 0.288900 | -7.757554 | 21073 |
| CH2_3B1 | -6.729974 | 0.301834 | 0.304100 | -1.421740 | 17180 |
| CH3 | -7.412471 | 0.483419 | 0.490800 | -4.631504 | 53073 |
| CH3Cl | -22.496305 | 0.616478 | 0.631000 | -9.112655 | 12059155 |
| CH4 | -8.089555 | 0.659591 | 0.670300 | -6.719762 | 586258 |
| CN | -15.498796 | 0.266998 | 0.288800 | -13.681140 | 2339948 |
| CO | -21.742030 | 0.398794 | 0.413700 | -9.353728 | 825873 |
| CO2 | -37.863440 | 0.603285 | 0.621400 | -11.367516 | 10551823 |
| CS | -15.804672 | 0.262407 | 0.274000 | -7.274581 | 12788080 |
| Cl2 | -29.989661 | 0.088111 | 0.094000 | -3.695499 | 12649041 |
| ClF | -39.264756 | 0.087263 | 0.100100 | -8.055144 | 6058905 |
| ClO | -30.958888 | 0.091193 | 0.104700 | -8.475641 | 10688267 |
| F2 | -48.490135 | 0.036699 | 0.062200 | -16.002263 | 402515 |
| H2CO | -22.924975 | 0.579915 | 0.596700 | -10.532790 | 6396819 |
| H2O | -17.270606 | 0.351863 | 0.371900 | -12.573679 | 25915 |
| H2O2 | -33.229068 | 0.393404 | 0.429400 | -22.587767 | 13264605 |
| H2S | -11.400389 | 0.282617 | 0.292000 | -5.888208 | 201179 |
| H3COH | -24.143007 | 0.796123 | 0.818700 | -14.167006 | 13019016 |
| H3CSH | -18.273976 | 0.728063 | 0.757000 | -18.158141 | 1329615 |
| HCN | -16.210057 | 0.477347 | 0.496900 | -12.269523 | 1516119 |
| HCO | -22.273743 | 0.429595 | 0.444700 | -9.478440 | 11299202 |
| HCl | -15.617871 | 0.166184 | 0.171000 | -3.021801 | 104095 |
| HF | -24.938806 | 0.211175 | 0.226100 | -9.365274 | 10957 |
| HOCl | -31.614009 | 0.245402 | 0.264700 | -12.109566 | 13009384 |
| Li2 | -0.430399 | 0.038065 | 0.038900 | -0.523966 | 44 |
| LiF | -24.638816 | 0.215931 | 0.222000 | -3.808194 | 13044 |
| LiH | -0.784321 | 0.087243 | 0.092430 | -3.255145 | 41 |
| N2 | -19.943468 | 0.332504 | 0.364600 | -20.140693 | 788381 |
| N2H4 | -22.267946 | 0.653334 | 0.699600 | -29.032225 | 13887352 |
| NH | -10.428705 | 0.122311 | 0.133500 | -7.021327 | 9467 |
| NH2 | -11.080938 | 0.273632 | 0.290400 | -10.522195 | 60047 |
| NH3 | -11.760796 | 0.452578 | 0.475500 | -14.383571 | 202812 |
| NO | -25.942374 | 0.219972 | 0.244500 | -15.391587 | 1297991 |
| Na2 | -0.389558 | 0.025840 | 0.026800 | -0.602301 | 22 |
| NaCl | -15.288006 | 0.155373 | 0.157400 | -1.272018 | 97509 |
| O2 | -32.010191 | 0.176351 | 0.192400 | -10.071008 | 1576234 |
| OH | -16.577892 | 0.160060 | 0.170200 | -6.362841 | 11196 |
| P2 | -13.106612 | 0.170208 | 0.186000 | -9.909477 | 13592438 |
| PH2 | -7.705149 | 0.235124 | 0.244000 | -5.570016 | 242081 |
| PH3 | -8.341888 | 0.370950 | 0.389000 | -11.326691 | 1018764 |
| S2 | -20.389652 | 0.157755 | 0.164000 | -3.918892 | 18860200 |
| SO | -26.222120 | 0.189251 | 0.200700 | -7.184305 | 19459285 |
| SO2 | -42.330625 | 0.380836 | 0.414400 | -21.061450 | 10290826 |
| Si2 | -7.636181 | 0.113070 | 0.121000 | -4.976334 | 5101174 |
| Si2H6 | -11.355831 | 0.827248 | 0.849000 | -13.649441 | 1873959 |
| SiH2_1A1 | -4.999600 | 0.236221 | 0.243000 | -4.253971 | 48779 |
| SiH2_3B1 | -4.971003 | 0.207623 | 0.210000 | -1.491483 | 70543 |
| SiH3 | -5.619455 | 0.355164 | 0.363000 | -4.917347 | 475546 |
| SiH4 | -6.270920 | 0.505717 | 0.515000 | -5.825457 | 1594422 |
| SiO | -19.969677 | 0.291202 | 0.306700 | -9.725354 | 1660400 |
|---------+------------+----------+----------+------------+----------|
| | | 9.06 | -9.06 | 5.88 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: tz-dmc-1.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| Be | -1.009333 | 0.000023 | 0.000000 | 0.000032 | | | | 10 |
| C | -5.429952 | 0.000254 | 0.000000 | 0.000360 | | | | 595 |
| Cl | -14.966696 | 0.000236 | 0.000000 | 0.000334 | | | | 14342 |
| F | -24.189361 | 0.000258 | 0.000000 | 0.000365 | | | | 2075 |
| H | -0.500004 | 0.000003 | 0.000000 | 0.000005 | | | | 1 |
| Li | -0.196327 | 0.000001 | 0.000000 | 0.000002 | | | | 1 |
| N | -9.796123 | 0.000634 | 0.000000 | 0.000896 | | | | 1010 |
| Na | -0.182143 | 0.000002 | 0.000000 | 0.000003 | | | | 1 |
| O | -15.897308 | 0.000167 | 0.000000 | 0.000236 | | | | 2197 |
| P | -6.474481 | 0.000451 | 0.000000 | 0.000638 | | | | 2442 |
| S | -10.128988 | 0.000160 | 0.000000 | 0.000226 | | | | 10386 |
| Si | -3.766828 | 0.000191 | 0.000000 | 0.000270 | | | | 1077 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| BeH | -1.587760 | 0.000404 | 0.078422 | 0.000405 | 0.079400 | -0.613625 | 0.254225 | 433 |
| C2H2 | -12.501205 | 0.000477 | 0.641292 | 0.000697 | 0.642400 | -0.695563 | 0.437438 | 1724878 |
| C2H4 | -13.752980 | 0.001163 | 0.893057 | 0.001269 | 0.899000 | -3.729083 | 0.796528 | 10195715 |
| C2H6 | -14.986407 | 0.001131 | 1.126476 | 0.001240 | 1.136900 | -6.541293 | 0.778411 | 1342000 |
| CH | -6.063568 | 0.000138 | 0.133611 | 0.000289 | 0.133900 | -0.181404 | 0.181661 | 8664 |
| CH2_1A1 | -6.717705 | 0.000218 | 0.287744 | 0.000335 | 0.288900 | -0.725514 | 0.210234 | 21073 |
| CH2_3B1 | -6.731842 | 0.000180 | 0.301881 | 0.000312 | 0.304100 | -1.392327 | 0.195630 | 17180 |
| CH3 | -7.417017 | 0.000286 | 0.487052 | 0.000383 | 0.490800 | -2.352058 | 0.240377 | 53073 |
| CH3Cl | -22.512367 | 0.003390 | 0.615706 | 0.003407 | 0.631000 | -9.597160 | 2.138213 | 12059155 |
| CH4 | -8.095743 | 0.000843 | 0.665773 | 0.000881 | 0.670300 | -2.840799 | 0.552812 | 586258 |
| CN | -15.509921 | 0.002042 | 0.283845 | 0.002153 | 0.288800 | -3.109134 | 1.351245 | 2339948 |
| CO | -21.736593 | 0.002474 | 0.409333 | 0.002493 | 0.413700 | -2.740306 | 1.564333 | 825873 |
| CO2 | -37.834149 | 0.001030 | 0.609581 | 0.001112 | 0.621400 | -7.416365 | 0.697814 | 10551823 |
| CS | -15.829831 | 0.001401 | 0.270891 | 0.001432 | 0.274000 | -1.951220 | 0.898880 | 12788080 |
| Cl2 | -30.018175 | 0.001747 | 0.084783 | 0.001810 | 0.094000 | -5.783619 | 1.135684 | 12649041 |
| ClF | -39.255045 | 0.003115 | 0.098988 | 0.003134 | 0.100100 | -0.697741 | 1.966796 | 6058905 |
| ClO | -30.958774 | 0.001094 | 0.094771 | 0.001131 | 0.104700 | -6.230738 | 0.709881 | 10688267 |
| F2 | -48.423955 | 0.001149 | 0.045233 | 0.001259 | 0.062200 | -10.646862 | 0.790293 | 402515 |
| H2CO | -22.914273 | 0.002474 | 0.587004 | 0.002493 | 0.596700 | -6.084427 | 1.564160 | 6396819 |
| H2O | -17.257799 | 0.000249 | 0.360482 | 0.000300 | 0.371900 | -7.164861 | 0.188259 | 25915 |
| H2O2 | -33.201854 | 0.001451 | 0.407229 | 0.001489 | 0.429400 | -13.912448 | 0.934071 | 13264605 |
| H2S | -11.416652 | 0.000452 | 0.287655 | 0.000480 | 0.292000 | -2.726256 | 0.300976 | 201179 |
| H3COH | -24.100072 | 0.001474 | 0.772794 | 0.001505 | 0.818700 | -28.806168 | 0.944554 | 13019016 |
| H3CSH | -18.301426 | 0.001376 | 0.742468 | 0.001409 | 0.757000 | -9.118962 | 0.884061 | 1329615 |
| HCN | -16.222226 | 0.002577 | 0.496146 | 0.002666 | 0.496900 | -0.473224 | 1.672950 | 1516119 |
| HCO | -22.262605 | 0.002012 | 0.435340 | 0.002035 | 0.444700 | -5.873355 | 1.277162 | 11299202 |
| HCl | -15.635528 | 0.000529 | 0.168828 | 0.000580 | 0.171000 | -1.362840 | 0.363821 | 104095 |
| HF | -24.906637 | 0.000675 | 0.217271 | 0.000723 | 0.226100 | -5.540270 | 0.453406 | 10957 |
| HOCl | -31.612011 | 0.001290 | 0.248003 | 0.001322 | 0.264700 | -10.477520 | 0.829696 | 13009384 |
| Li2 | -0.431540 | 0.000021 | 0.038886 | 0.000021 | 0.038900 | -0.008849 | 0.012984 | 44 |
| LiF | -24.605932 | 0.000703 | 0.220244 | 0.000748 | 0.222000 | -1.101968 | 0.469642 | 13044 |
| LiH | -0.788442 | 0.000037 | 0.092110 | 0.000037 | 0.092430 | -0.200593 | 0.023276 | 41 |
| N2 | -19.949860 | 0.000510 | 0.357614 | 0.001366 | 0.364600 | -4.383977 | 0.857123 | 788381 |
| N2H4 | -22.272664 | 0.001553 | 0.680400 | 0.002005 | 0.699600 | -12.048205 | 1.257986 | 13887352 |
| NH | -10.425105 | 0.000181 | 0.128977 | 0.000659 | 0.133500 | -2.837971 | 0.413506 | 9467 |
| NH2 | -11.081505 | 0.000371 | 0.285373 | 0.000735 | 0.290400 | -3.154370 | 0.460917 | 60047 |
| NH3 | -11.761277 | 0.000333 | 0.465141 | 0.000716 | 0.475500 | -6.500636 | 0.449305 | 202812 |
| NO | -25.933701 | 0.002844 | 0.240270 | 0.002919 | 0.244500 | -2.654498 | 1.831658 | 1297991 |
| Na2 | -0.390864 | 0.000024 | 0.026578 | 0.000024 | 0.026800 | -0.139466 | 0.015163 | 22 |
| NaCl | -15.305524 | 0.000510 | 0.156685 | 0.000562 | 0.157400 | -0.448759 | 0.352652 | 97509 |
| O2 | -31.981433 | 0.003611 | 0.186818 | 0.003626 | 0.192400 | -3.503007 | 2.275653 | 1576234 |
| OH | -16.562215 | 0.000325 | 0.164903 | 0.000365 | 0.170200 | -3.323968 | 0.229135 | 11196 |
| P2 | -13.129317 | 0.000741 | 0.180355 | 0.001167 | 0.186000 | -3.542582 | 0.732195 | 13592438 |
| PH2 | -7.719066 | 0.000307 | 0.244576 | 0.000546 | 0.244000 | 0.361317 | 0.342375 | 242081 |
| PH3 | -8.357136 | 0.000652 | 0.382641 | 0.000793 | 0.389000 | -3.990083 | 0.497469 | 1018764 |
| S2 | -20.416423 | 0.001144 | 0.158447 | 0.001188 | 0.164000 | -3.484794 | 0.745671 | 18860200 |
| SO | -26.220705 | 0.002360 | 0.194409 | 0.002372 | 0.200700 | -3.947798 | 1.488270 | 19459285 |
| SO2 | -42.313367 | 0.001371 | 0.389763 | 0.001420 | 0.414400 | -15.459897 | 0.891301 | 10290826 |
| Si2 | -7.646091 | 0.000638 | 0.112435 | 0.000744 | 0.121000 | -5.374410 | 0.466847 | 5101174 |
| Si2H6 | -11.383403 | 0.000714 | 0.849720 | 0.000810 | 0.849000 | 0.452119 | 0.508139 | 1873959 |
| SiH2_1A1 | -5.011546 | 0.000151 | 0.244710 | 0.000243 | 0.243000 | 1.072803 | 0.152680 | 48779 |
| SiH2_3B1 | -4.979101 | 0.000156 | 0.212264 | 0.000247 | 0.210000 | 1.420988 | 0.154720 | 70543 |
| SiH3 | -5.630771 | 0.000326 | 0.363930 | 0.000378 | 0.363000 | 0.583770 | 0.236933 | 475546 |
| SiH4 | -6.282083 | 0.000683 | 0.515237 | 0.000709 | 0.515000 | 0.148971 | 0.445190 | 1594422 |
| SiO | -19.967377 | 0.002598 | 0.303241 | 0.002611 | 0.306700 | -2.170380 | 1.638215 | 1660400 |
|---------+------------+----------+----------+----------+-----------+------------+----------+----------|
| | 4.38 | 0.94 | -4.24 | 5.11 | 0.31 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
*** FCI
**** CIPSI
#+NAME: tz-cipsi-inf
| | Total E | | Delta E | | Reference | Error | |
| | Hartree | | Hartree | | Hartree | kcal/mol | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| Be | -1.008492 | 0.000096 | 0.000000 | 0.000136 | | | |
| C | -5.428008 | 0.000013 | 0.000000 | 0.000018 | | | |
| Cl | -14.946282 | 0.000006 | 0.000000 | 0.000008 | | | |
| F | -24.163567 | 0.000015 | 0.000000 | 0.000022 | | | |
| H | -0.499043 | 0.000000 | | 0.000000 | | | |
| Li | -0.196093 | 0.000000 | | 0.000000 | | | |
| N | -9.790978 | 0.000017 | 0.000000 | 0.000024 | | | |
| Na | -0.181799 | 0.000000 | | 0.000000 | | | |
| O | -15.882573 | 0.000003 | 0.000000 | 0.000005 | | | |
| P | -6.469736 | 0.000011 | 0.000000 | 0.000016 | | | |
| S | -10.116024 | 0.000004 | 0.000000 | 0.000005 | | | |
| Si | -3.763624 | 0.000004 | 0.000000 | 0.000006 | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| BeH | -1.581896 | 0.000006 | 0.074361 | 0.000096 | 0.079400 | -3.161966 | 0.060369 |
| C2H2 | -12.480026 | 0.000012 | 0.625924 | 0.000029 | 0.642400 | -10.338930 | 0.018082 |
| C2H4 | -13.728870 | 0.000006 | 0.876682 | 0.000027 | 0.899000 | -14.004549 | 0.016869 |
| C2H6 | -14.962048 | 0.000071 | 1.111774 | 0.000075 | 1.136900 | -15.766666 | 0.047243 |
| CH | -6.056891 | 0.000012 | 0.129840 | 0.000018 | 0.133900 | -2.547402 | 0.011185 |
| CH2_1A1 | -6.707051 | 0.000001 | 0.280957 | 0.000013 | 0.288900 | -4.984375 | 0.008216 |
| CH2_3B1 | -6.722856 | 0.000001 | 0.296762 | 0.000013 | 0.304100 | -4.604681 | 0.008211 |
| CH3 | -7.405038 | 0.000003 | 0.479901 | 0.000013 | 0.490800 | -6.839150 | 0.008352 |
| CH3Cl | -22.482202 | 0.000192 | 0.610783 | 0.000192 | 0.631000 | -12.686100 | 0.120698 |
| CH4 | -8.081441 | 0.000003 | 0.657261 | 0.000013 | 0.670300 | -8.182009 | 0.008369 |
| CN | -15.492696 | 0.000012 | 0.273709 | 0.000025 | 0.288800 | -9.469446 | 0.015446 |
| CO | -21.711419 | 0.000010 | 0.400838 | 0.000017 | 0.413700 | -8.070933 | 0.010478 |
| CO2 | -37.789127 | 0.000280 | 0.595973 | 0.000280 | 0.621400 | -15.955684 | 0.175794 |
| CS | -15.804633 | 0.000026 | 0.260602 | 0.000029 | 0.274000 | -8.407530 | 0.018250 |
| Cl2 | -29.976481 | 0.000134 | 0.083918 | 0.000134 | 0.094000 | -6.326863 | 0.084129 |
| ClF | -39.198263 | 0.000065 | 0.088414 | 0.000067 | 0.100100 | -7.333314 | 0.042078 |
| ClO | -30.920322 | 0.000119 | 0.091467 | 0.000119 | 0.104700 | -8.303758 | 0.074797 |
| F2 | -48.381050 | 0.000011 | 0.053916 | 0.000033 | 0.062200 | -5.198481 | 0.020403 |
| H2CO | -22.886870 | 0.000011 | 0.578203 | 0.000018 | 0.596700 | -11.607272 | 0.011035 |
| H2O | -17.232161 | 0.000002 | 0.351502 | 0.000004 | 0.371900 | -12.799685 | 0.002568 |
| H2O2 | -33.162975 | 0.000103 | 0.399743 | 0.000103 | 0.429400 | -18.610108 | 0.064945 |
| H2S | -11.396719 | 0.000001 | 0.282610 | 0.000004 | 0.292000 | -5.892275 | 0.002478 |
| H3COH | -24.097503 | 0.000398 | 0.790750 | 0.000399 | 0.818700 | -17.539036 | 0.250143 |
| H3CSH | -18.272893 | 0.000166 | 0.732690 | 0.000167 | 0.757000 | -15.254781 | 0.104485 |
| HCN | -16.197340 | 0.000001 | 0.479311 | 0.000021 | 0.496900 | -11.037336 | 0.013463 |
| HCO | -22.237063 | 0.000102 | 0.427439 | 0.000103 | 0.444700 | -10.831638 | 0.064768 |
| HCl | -15.610478 | 0.000005 | 0.165154 | 0.000008 | 0.171000 | -3.668681 | 0.004717 |
| HF | -24.874009 | 0.000000 | 0.211399 | 0.000015 | 0.226100 | -9.225112 | 0.009632 |
| HOCl | -31.572985 | 0.000036 | 0.245087 | 0.000037 | 0.264700 | -12.307511 | 0.023157 |
| Li2 | -0.431306 | 0.000048 | 0.039119 | 0.000048 | 0.038900 | 0.137726 | 0.029851 |
| LiF | -24.572038 | 0.000009 | 0.212377 | 0.000018 | 0.222000 | -6.038485 | 0.011269 |
| LiH | -0.786051 | 0.000034 | 0.090914 | 0.000034 | 0.092430 | -0.951129 | 0.021442 |
| N2 | -19.925579 | 0.000008 | 0.343623 | 0.000035 | 0.364600 | -13.163277 | 0.021925 |
| NH | -10.414483 | 0.000006 | 0.124462 | 0.000018 | 0.133500 | -5.671668 | 0.011214 |
| NH2 | -11.064666 | 0.000004 | 0.275602 | 0.000017 | 0.290400 | -9.286012 | 0.010906 |
| NH3 | -11.741160 | 0.000000 | 0.453054 | 0.000017 | 0.475500 | -14.085378 | 0.010649 |
| NO | -25.900393 | 0.000020 | 0.226841 | 0.000026 | 0.244500 | -11.080954 | 0.016437 |
| Na2 | -0.390168 | 0.000066 | 0.026569 | 0.000066 | 0.026800 | -0.144798 | 0.041560 |
| NaCl | -15.276352 | 0.000004 | 0.148271 | 0.000007 | 0.157400 | -5.728608 | 0.004347 |
| O2 | -31.944180 | 0.000053 | 0.179034 | 0.000053 | 0.192400 | -8.387280 | 0.033467 |
| OH | -16.541732 | 0.000004 | 0.160116 | 0.000005 | 0.170200 | -6.327848 | 0.003100 |
| P2 | -13.105438 | 0.000014 | 0.165967 | 0.000026 | 0.186000 | -12.571102 | 0.016616 |
| PH2 | -7.704737 | 0.000000 | 0.236915 | 0.000011 | 0.244000 | -4.445601 | 0.007088 |
| PH3 | -8.340666 | 0.000004 | 0.373802 | 0.000012 | 0.389000 | -9.536878 | 0.007448 |
| S2 | -20.381825 | 0.000029 | 0.149778 | 0.000030 | 0.164000 | -8.924422 | 0.018780 |
| SO | -26.184583 | 0.000246 | 0.185987 | 0.000246 | 0.200700 | -9.232806 | 0.154426 |
| SO2 | -42.262457 | 0.000074 | 0.381287 | 0.000074 | 0.414400 | -20.778582 | 0.046732 |
| Si2 | -7.643107 | 0.004558 | 0.115858 | 0.004558 | 0.121000 | -3.226625 | 2.860189 |
| Si2H6 | -11.360066 | 0.000104 | 0.838559 | 0.000104 | 0.849000 | -6.551537 | 0.065468 |
| SiH2_1A1 | -5.002130 | 0.000004 | 0.240420 | 0.000006 | 0.243000 | -1.619239 | 0.003653 |
| SiH2_3B1 | -4.970075 | 0.000002 | 0.208365 | 0.000005 | 0.210000 | -1.026192 | 0.002970 |
| SiH3 | -5.618663 | 0.000006 | 0.357910 | 0.000008 | 0.363000 | -3.193957 | 0.004849 |
| SiH4 | -6.270622 | 0.000003 | 0.510826 | 0.000005 | 0.515000 | -2.619390 | 0.003405 |
| SiO | -19.937310 | 0.000003 | 0.291113 | 0.000006 | 0.306700 | -9.781036 | 0.004031 |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | 8.43 | 0.39 | -8.43 | 4.87 | 0.07 | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
** VQZ-BFD
*** CCSD(T)
#+NAME: qz-ccsdt
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -1.009630 | | | |
| C | -5.431625 | | | |
| Cl | -14.966606 | | | |
| F | -24.185858 | | | |
| H | -0.499916 | | | |
| Li | -0.196307 | | | |
| N | -9.798032 | | | |
| Na | -0.181980 | | | |
| O | -15.897220 | | | |
| P | -6.475063 | | | |
| S | -10.127554 | | | |
| Si | -3.766083 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.588693 | 0.079148 | 0.079400 | -0.158381 |
| C2H2 | -12.497962 | 0.634880 | 0.642400 | -4.718627 |
| C2H4 | -13.748624 | 0.885711 | 0.899000 | -8.338980 |
| C2H6 | -14.983956 | 1.121211 | 1.136900 | -9.844858 |
| CH | -6.063322 | 0.131782 | 0.133900 | -1.329284 |
| CH2_1A1 | -6.715727 | 0.284271 | 0.288900 | -2.905053 |
| CH2_3B1 | -6.730719 | 0.299262 | 0.304100 | -3.035889 |
| CH3 | -7.415146 | 0.483774 | 0.490800 | -4.409049 |
| CH3Cl | -22.517441 | 0.619462 | 0.631000 | -7.240005 |
| CH4 | -8.093188 | 0.661900 | 0.670300 | -5.271213 |
| CN | -15.508665 | 0.279009 | 0.288800 | -6.143988 |
| CO | -21.737434 | 0.408590 | 0.413700 | -3.206882 |
| CO2 | -37.835937 | 0.609872 | 0.621400 | -7.233662 |
| CS | -15.827248 | 0.268069 | 0.274000 | -3.721846 |
| Cl2 | -30.024045 | 0.090834 | 0.094000 | -1.986971 |
| ClF | -39.248024 | 0.095561 | 0.100100 | -2.848329 |
| ClO | -30.962404 | 0.098578 | 0.104700 | -3.841333 |
| F2 | -48.429318 | 0.057603 | 0.062200 | -2.884515 |
| H2CO | -22.915905 | 0.587228 | 0.596700 | -5.943614 |
| H2O | -17.255568 | 0.358516 | 0.371900 | -8.398330 |
| H2O2 | -33.205024 | 0.410751 | 0.429400 | -11.702127 |
| H2S | -11.415620 | 0.288234 | 0.292000 | -2.363501 |
| H3COH | -24.130100 | 0.801592 | 0.818700 | -10.735687 |
| H3CSH | -18.302410 | 0.743567 | 0.757000 | -8.429457 |
| HCN | -16.218749 | 0.489177 | 0.496900 | -4.846491 |
| HCO | -22.263922 | 0.435162 | 0.444700 | -5.985318 |
| HCl | -15.635201 | 0.168679 | 0.171000 | -1.456303 |
| HF | -24.901984 | 0.216210 | 0.226100 | -6.205772 |
| HOCl | -31.618416 | 0.254674 | 0.264700 | -6.291255 |
| Li2 | -0.431450 | 0.038836 | 0.038900 | -0.040420 |
| LiF | -24.599303 | 0.217138 | 0.222000 | -3.050674 |
| LiH | -0.787778 | 0.091555 | 0.092430 | -0.549226 |
| N2 | -19.950557 | 0.354494 | 0.364600 | -6.341628 |
| N2H4 | -22.265923 | 0.670196 | 0.699600 | -18.451185 |
| NH | -10.425746 | 0.127799 | 0.133500 | -3.577669 |
| NH2 | -11.079649 | 0.281785 | 0.290400 | -5.405904 |
| NH3 | -11.759160 | 0.461381 | 0.475500 | -8.859937 |
| NO | -25.930152 | 0.234900 | 0.244500 | -6.024226 |
| Na2 | -0.390679 | 0.026719 | 0.026800 | -0.050912 |
| NaCl | -15.302335 | 0.153750 | 0.157400 | -2.290587 |
| O2 | -31.979613 | 0.185173 | 0.192400 | -4.535157 |
| OH | -16.561506 | 0.164370 | 0.170200 | -3.658685 |
| P2 | -13.127173 | 0.177047 | 0.186000 | -5.618317 |
| PH2 | -7.716932 | 0.242037 | 0.244000 | -1.231855 |
| PH3 | -8.355575 | 0.380764 | 0.389000 | -5.167860 |
| S2 | -20.413971 | 0.158863 | 0.164000 | -3.223716 |
| SO | -26.220100 | 0.195325 | 0.200700 | -3.372844 |
| SO2 | -42.326303 | 0.404308 | 0.414400 | -6.332828 |
| Si2 | -7.650055 | 0.117888 | 0.121000 | -1.952632 |
| Si2H6 | -11.382209 | 0.850547 | 0.849000 | 0.970490 |
| SiH2_1A1 | -5.010012 | 0.244097 | 0.243000 | 0.688283 |
| SiH2_3B1 | -4.977435 | 0.211520 | 0.210000 | 0.953656 |
| SiH3 | -5.628432 | 0.362600 | 0.363000 | -0.250802 |
| SiH4 | -6.282376 | 0.516629 | 0.515000 | 1.022373 |
| SiO | -19.964702 | 0.301399 | 0.306700 | -3.326636 |
|---------+------------+----------+----------+------------|
| | | 4.52 | -4.38 | 3.60 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** DFT
**** PBE
#+NAME: qz-pbe
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.996113 | | | |
| C | -5.419470 | | | |
| Cl | -14.944710 | | | |
| F | -24.193963 | | | |
| H | -0.499094 | | | |
| Li | -0.200892 | | | |
| N | -9.787765 | | | |
| Na | -0.187644 | | | |
| O | -15.900388 | | | |
| P | -6.463886 | | | |
| S | -10.113756 | | | |
| Si | -3.765284 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.585461 | 0.090254 | 0.079400 | 6.810859 |
| C2H2 | -12.488592 | 0.651463 | 0.642400 | 5.686932 |
| C2H4 | -13.736782 | 0.901463 | 0.899000 | 1.545791 |
| C2H6 | -14.966450 | 1.132943 | 1.136900 | -2.483005 |
| CH | -6.052660 | 0.134095 | 0.133900 | 0.122198 |
| CH2_1A1 | -6.698745 | 0.281086 | 0.288900 | -4.903179 |
| CH2_3B1 | -6.729359 | 0.311700 | 0.304100 | 4.768983 |
| CH3 | -7.409139 | 0.492385 | 0.490800 | 0.994623 |
| CH3Cl | -22.491130 | 0.629667 | 0.631000 | -0.836418 |
| CH4 | -8.080418 | 0.664570 | 0.670300 | -3.595759 |
| CN | -15.511957 | 0.304722 | 0.288800 | 9.991015 |
| CO | -21.735759 | 0.415900 | 0.413700 | 1.380417 |
| CO2 | -37.861779 | 0.641531 | 0.621400 | 12.632694 |
| CS | -15.811579 | 0.278352 | 0.274000 | 2.731125 |
| Cl2 | -29.992204 | 0.102785 | 0.094000 | 5.512432 |
| ClF | -39.248033 | 0.109360 | 0.100100 | 5.811056 |
| ClO | -30.967368 | 0.122270 | 0.104700 | 11.025649 |
| F2 | -48.459866 | 0.071941 | 0.062200 | 6.112297 |
| H2CO | -22.920021 | 0.601974 | 0.596700 | 3.309249 |
| H2O | -17.255624 | 0.357046 | 0.371900 | -9.320794 |
| H2O2 | -33.220408 | 0.421442 | 0.429400 | -4.993414 |
| H2S | -11.398268 | 0.286323 | 0.292000 | -3.562416 |
| H3COH | -24.127495 | 0.811259 | 0.818700 | -4.669484 |
| H3CSH | -18.282355 | 0.752751 | 0.757000 | -2.666170 |
| HCN | -16.213545 | 0.507216 | 0.496900 | 6.473084 |
| HCO | -22.275067 | 0.456114 | 0.444700 | 7.162174 |
| HCl | -15.610589 | 0.166785 | 0.171000 | -2.645028 |
| HF | -24.907159 | 0.214102 | 0.226100 | -7.528823 |
| HOCl | -31.610199 | 0.266007 | 0.264700 | 0.820118 |
| Li2 | -0.428778 | 0.026993 | 0.038900 | -7.471700 |
| LiF | -24.608982 | 0.214127 | 0.222000 | -4.940238 |
| LiH | -0.783966 | 0.083979 | 0.092430 | -5.303148 |
| N2 | -19.947513 | 0.371984 | 0.364600 | 4.633387 |
| N2H4 | -22.264991 | 0.693084 | 0.699600 | -4.088952 |
| NH | -10.425731 | 0.138871 | 0.133500 | 3.370565 |
| NH2 | -11.079235 | 0.293282 | 0.290400 | 1.808213 |
| NH3 | -11.753182 | 0.468134 | 0.475500 | -4.622301 |
| NO | -25.946807 | 0.258654 | 0.244500 | 8.881465 |
| Na2 | -0.394252 | 0.018964 | 0.026800 | -4.917279 |
| NaCl | -15.279954 | 0.147600 | 0.157400 | -6.149729 |
| O2 | -32.012615 | 0.211838 | 0.192400 | 12.197753 |
| OH | -16.566564 | 0.167082 | 0.170200 | -1.956880 |
| P2 | -13.119844 | 0.192073 | 0.186000 | 3.810736 |
| PH2 | -7.709285 | 0.247210 | 0.244000 | 2.014502 |
| PH3 | -8.342126 | 0.380957 | 0.389000 | -5.046939 |
| S2 | -20.407875 | 0.180363 | 0.164000 | 10.267925 |
| SO | -26.230786 | 0.216642 | 0.200700 | 10.003855 |
| SO2 | -42.348182 | 0.433649 | 0.414400 | 12.079208 |
| Si2 | -7.658985 | 0.128417 | 0.121000 | 4.654209 |
| Si2H6 | -11.352960 | 0.827826 | 0.849000 | -13.286890 |
| SiH2_1A1 | -4.999649 | 0.236176 | 0.243000 | -4.281950 |
| SiH2_3B1 | -4.975344 | 0.211872 | 0.210000 | 1.174493 |
| SiH3 | -5.618258 | 0.355690 | 0.363000 | -4.586834 |
| SiH4 | -6.262304 | 0.500642 | 0.515000 | -9.009586 |
| SiO | -19.969823 | 0.304150 | 0.306700 | -1.599921 |
|---------+------------+----------+----------+------------|
| | | 5.31 | 0.79 | 6.27 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** BLYP
#+NAME: qz-blyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.991021 | | | |
| C | -5.412598 | | | |
| Cl | -14.919841 | | | |
| F | -24.196641 | | | |
| H | -0.496668 | | | |
| Li | -0.196523 | | | |
| N | -9.774215 | | | |
| Na | -0.183513 | | | |
| O | -15.896302 | | | |
| P | -6.436362 | | | |
| S | -10.088113 | | | |
| Si | -3.746117 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.581105 | 0.093416 | 0.079400 | 8.794900 |
| C2H2 | -12.444933 | 0.626402 | 0.642400 | -10.039185 |
| C2H4 | -13.685815 | 0.873948 | 0.899000 | -15.720380 |
| C2H6 | -14.907022 | 1.101818 | 1.136900 | -22.014161 |
| CH | -6.043997 | 0.134732 | 0.133900 | 0.521937 |
| CH2_1A1 | -6.687178 | 0.281244 | 0.288900 | -4.804164 |
| CH2_3B1 | -6.706316 | 0.300382 | 0.304100 | -2.333016 |
| CH3 | -7.385337 | 0.482736 | 0.490800 | -5.060413 |
| CH3Cl | -22.429883 | 0.607440 | 0.631000 | -14.784249 |
| CH4 | -8.052982 | 0.653713 | 0.670300 | -10.408709 |
| CN | -15.475762 | 0.288949 | 0.288800 | 0.093706 |
| CO | -21.708370 | 0.399470 | 0.413700 | -8.929264 |
| CO2 | -37.811066 | 0.605864 | 0.621400 | -9.748869 |
| CS | -15.763990 | 0.263279 | 0.274000 | -6.727259 |
| Cl2 | -29.928995 | 0.089312 | 0.094000 | -2.941646 |
| ClF | -39.215763 | 0.099281 | 0.100100 | -0.514109 |
| ClO | -30.926204 | 0.110061 | 0.104700 | 3.364026 |
| F2 | -48.459108 | 0.065827 | 0.062200 | 2.275710 |
| H2CO | -22.884610 | 0.582374 | 0.596700 | -8.989620 |
| H2O | -17.241272 | 0.351634 | 0.371900 | -12.717165 |
| H2O2 | -33.194243 | 0.408302 | 0.429400 | -13.238958 |
| H2S | -11.365291 | 0.283842 | 0.292000 | -5.119299 |
| H3COH | -24.084315 | 0.788744 | 0.818700 | -18.797902 |
| H3CSH | -18.217455 | 0.730072 | 0.757000 | -16.897596 |
| HCN | -16.175282 | 0.491801 | 0.496900 | -3.199774 |
| HCO | -22.242930 | 0.437362 | 0.444700 | -4.604523 |
| HCl | -15.579836 | 0.163327 | 0.171000 | -4.814990 |
| HF | -24.903739 | 0.210430 | 0.226100 | -9.832805 |
| HOCl | -31.565360 | 0.252548 | 0.264700 | -7.625330 |
| Li2 | -0.423060 | 0.030014 | 0.038900 | -5.575805 |
| LiF | -24.608480 | 0.215317 | 0.222000 | -4.193856 |
| LiH | -0.786232 | 0.093041 | 0.092430 | 0.383328 |
| N2 | -19.912735 | 0.364304 | 0.364600 | -0.185701 |
| N2H4 | -22.214434 | 0.679331 | 0.699600 | -12.718722 |
| NH | -10.410820 | 0.139936 | 0.133500 | 4.038817 |
| NH2 | -11.060764 | 0.293212 | 0.290400 | 1.764813 |
| NH3 | -11.729136 | 0.464916 | 0.475500 | -6.641279 |
| NO | -25.917673 | 0.247156 | 0.244500 | 1.666632 |
| Na2 | -0.388370 | 0.021343 | 0.026800 | -3.424291 |
| NaCl | -15.250389 | 0.147034 | 0.157400 | -6.504637 |
| O2 | -31.987788 | 0.195183 | 0.192400 | 1.746637 |
| OH | -16.558490 | 0.165520 | 0.170200 | -2.936645 |
| P2 | -13.062675 | 0.189951 | 0.186000 | 2.479422 |
| PH2 | -7.681612 | 0.251914 | 0.244000 | 4.966423 |
| PH3 | -8.312789 | 0.386423 | 0.389000 | -1.616968 |
| S2 | -20.342707 | 0.166480 | 0.164000 | 1.556511 |
| SO | -26.188802 | 0.204387 | 0.200700 | 2.313621 |
| SO2 | -42.287717 | 0.407000 | 0.414400 | -4.643549 |
| Si2 | -7.612194 | 0.119959 | 0.121000 | -0.652987 |
| Si2H6 | -11.307383 | 0.835140 | 0.849000 | -8.697220 |
| SiH2_1A1 | -4.983426 | 0.243973 | 0.243000 | 0.610412 |
| SiH2_3B1 | -4.951731 | 0.212278 | 0.210000 | 1.429302 |
| SiH3 | -5.598245 | 0.362124 | 0.363000 | -0.549741 |
| SiH4 | -6.244183 | 0.511393 | 0.515000 | -2.263286 |
| SiO | -19.943358 | 0.300938 | 0.306700 | -3.615500 |
|---------+------------+----------+----------+------------|
| | | 5.86 | -4.47 | 6.43 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** PBE0
#+NAME: qz-pbe0
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -0.997452 | | | |
| C | -5.422029 | | | |
| Cl | -14.950878 | | | |
| F | -24.192415 | | | |
| H | -0.500774 | | | |
| Li | -0.201291 | | | |
| N | -9.792066 | | | |
| Na | -0.187727 | | | |
| O | -15.900799 | | | |
| P | -6.467975 | | | |
| S | -10.118676 | | | |
| Si | -3.766609 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.588594 | 0.090369 | 0.079400 | 6.883073 |
| C2H2 | -12.485145 | 0.639540 | 0.642400 | -1.794676 |
| C2H4 | -13.740661 | 0.893509 | 0.899000 | -3.445750 |
| C2H6 | -14.978721 | 1.130021 | 1.136900 | -4.316348 |
| CH | -6.054538 | 0.131735 | 0.133900 | -1.358557 |
| CH2_1A1 | -6.701849 | 0.278273 | 0.288900 | -6.668662 |
| CH2_3B1 | -6.734346 | 0.310770 | 0.304100 | 4.185512 |
| CH3 | -7.415620 | 0.491270 | 0.490800 | 0.295188 |
| CH3Cl | -22.499556 | 0.624328 | 0.631000 | -4.186577 |
| CH4 | -8.088442 | 0.663318 | 0.670300 | -4.381238 |
| CN | -15.493699 | 0.279605 | 0.288800 | -5.769987 |
| CO | -21.722253 | 0.399425 | 0.413700 | -8.957910 |
| CO2 | -37.833733 | 0.610105 | 0.621400 | -7.087414 |
| CS | -15.803592 | 0.262888 | 0.274000 | -6.972920 |
| Cl2 | -29.995791 | 0.094036 | 0.094000 | 0.022690 |
| ClF | -39.236734 | 0.093441 | 0.100100 | -4.178380 |
| ClO | -30.954652 | 0.102975 | 0.104700 | -1.082362 |
| F2 | -48.430335 | 0.045504 | 0.062200 | -10.476798 |
| H2CO | -22.909527 | 0.585152 | 0.596700 | -7.246535 |
| H2O | -17.250915 | 0.348568 | 0.371900 | -14.640869 |
| H2O2 | -33.199395 | 0.396249 | 0.429400 | -20.802315 |
| H2S | -11.403814 | 0.283591 | 0.292000 | -5.276874 |
| H3COH | -24.125892 | 0.799969 | 0.818700 | -11.754054 |
| H3CSH | -18.291108 | 0.747309 | 0.757000 | -6.081038 |
| HCN | -16.202675 | 0.487807 | 0.496900 | -5.706188 |
| HCO | -22.260629 | 0.437027 | 0.444700 | -4.814763 |
| HCl | -15.616600 | 0.164948 | 0.171000 | -3.797412 |
| HF | -24.901005 | 0.207816 | 0.226100 | -11.473292 |
| HOCl | -31.601767 | 0.249317 | 0.264700 | -9.653257 |
| Li2 | -0.429768 | 0.027186 | 0.038900 | -7.350531 |
| LiF | -24.598395 | 0.204688 | 0.222000 | -10.863154 |
| LiH | -0.785007 | 0.082943 | 0.092430 | -5.953161 |
| N2 | -19.932145 | 0.348013 | 0.364600 | -10.408226 |
| N2H4 | -22.261313 | 0.674087 | 0.699600 | -16.009406 |
| NH | -10.427051 | 0.134212 | 0.133500 | 0.446761 |
| NH2 | -11.079782 | 0.286169 | 0.290400 | -2.654784 |
| NH3 | -11.754277 | 0.459890 | 0.475500 | -9.795326 |
| NO | -25.926359 | 0.233495 | 0.244500 | -6.906061 |
| Na2 | -0.394385 | 0.018931 | 0.026800 | -4.937734 |
| NaCl | -15.284925 | 0.146320 | 0.157400 | -6.952581 |
| O2 | -31.987936 | 0.186337 | 0.192400 | -3.804315 |
| OH | -16.563529 | 0.161956 | 0.170200 | -5.173102 |
| P2 | -13.112544 | 0.176594 | 0.186000 | -5.902083 |
| PH2 | -7.714100 | 0.244578 | 0.244000 | 0.362752 |
| PH3 | -8.348230 | 0.377934 | 0.389000 | -6.943844 |
| S2 | -20.405906 | 0.168555 | 0.164000 | 2.858570 |
| SO | -26.217245 | 0.197770 | 0.200700 | -1.838761 |
| SO2 | -42.317092 | 0.396818 | 0.414400 | -11.033038 |
| Si2 | -7.655617 | 0.122398 | 0.121000 | 0.877309 |
| Si2H6 | -11.369931 | 0.832069 | 0.849000 | -10.624086 |
| SiH2_1A1 | -5.003141 | 0.234985 | 0.243000 | -5.029784 |
| SiH2_3B1 | -4.980327 | 0.212170 | 0.210000 | 1.361798 |
| SiH3 | -5.626105 | 0.357174 | 0.363000 | -3.655693 |
| SiH4 | -6.272909 | 0.503205 | 0.515000 | -7.401532 |
| SiO | -19.953249 | 0.285840 | 0.306700 | -13.089596 |
|---------+------------+----------+----------+------------|
| | | 6.28 | -5.65 | 5.08 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** B3LYP
#+NAME: qz-b3lyp
| | e_cal | ae_cal | ae_nr | ae_diff |
| | Hartree | Hartree | Hartree | kcal/mol |
|---------+------------+----------+----------+------------|
| Be | -1.001255 | | | |
| C | -5.432926 | | | |
| Cl | -14.960683 | | | |
| F | -24.226982 | | | |
| H | -0.501546 | | | |
| Li | -0.200648 | | | |
| N | -9.801448 | | | |
| Na | -0.187270 | | | |
| O | -15.923588 | | | |
| P | -6.464937 | | | |
| S | -10.122374 | | | |
| Si | -3.766700 | | | |
|---------+------------+----------+----------+------------|
| BeH | -1.596944 | 0.094142 | 0.079400 | 9.250975 |
| C2H2 | -12.496314 | 0.627370 | 0.642400 | -9.431554 |
| C2H4 | -13.753737 | 0.881700 | 0.899000 | -10.856141 |
| C2H6 | -14.992301 | 1.117171 | 1.136900 | -12.379953 |
| CH | -6.069189 | 0.134717 | 0.133900 | 0.512485 |
| CH2_1A1 | -6.719706 | 0.283687 | 0.288900 | -3.271109 |
| CH2_3B1 | -6.739885 | 0.303866 | 0.304100 | -0.146864 |
| CH3 | -7.425926 | 0.488361 | 0.490800 | -1.530256 |
| CH3Cl | -22.512309 | 0.614061 | 0.631000 | -10.629428 |
| CH4 | -8.101321 | 0.662210 | 0.670300 | -5.076642 |
| CN | -15.508332 | 0.273958 | 0.288800 | -9.313486 |
| CO | -21.750271 | 0.393758 | 0.413700 | -12.514055 |
| CO2 | -37.874378 | 0.594277 | 0.621400 | -17.019776 |
| CS | -15.811994 | 0.256694 | 0.274000 | -10.859752 |
| Cl2 | -30.007877 | 0.086511 | 0.094000 | -4.699652 |
| ClF | -39.279276 | 0.091611 | 0.100100 | -5.327128 |
| ClO | -30.983992 | 0.099721 | 0.104700 | -3.124255 |
| F2 | -48.503861 | 0.049897 | 0.062200 | -7.720035 |
| H2CO | -22.939619 | 0.580012 | 0.596700 | -10.471684 |
| H2O | -17.278376 | 0.351695 | 0.371900 | -12.678768 |
| H2O2 | -33.249734 | 0.399465 | 0.429400 | -18.784350 |
| H2S | -11.412149 | 0.286682 | 0.292000 | -3.337173 |
| H3COH | -24.157150 | 0.794451 | 0.818700 | -15.216770 |
| H3CSH | -18.300357 | 0.738872 | 0.757000 | -11.375799 |
| HCN | -16.220379 | 0.484459 | 0.496900 | -7.807004 |
| HCO | -22.288737 | 0.430677 | 0.444700 | -8.799560 |
| HCl | -15.627044 | 0.164814 | 0.171000 | -3.881629 |
| HF | -24.938080 | 0.209552 | 0.226100 | -10.384114 |
| HOCl | -31.632890 | 0.247073 | 0.264700 | -11.061366 |
| Li2 | -0.432372 | 0.031075 | 0.038900 | -4.910377 |
| LiF | -24.639077 | 0.211447 | 0.222000 | -6.622126 |
| LiH | -0.795699 | 0.093504 | 0.092430 | 0.673966 |
| N2 | -19.954026 | 0.351129 | 0.364600 | -8.453201 |
| N2H4 | -22.286544 | 0.677462 | 0.699600 | -13.891975 |
| NH | -10.440530 | 0.137535 | 0.133500 | 2.531993 |
| NH2 | -11.096101 | 0.291560 | 0.290400 | 0.727848 |
| NH3 | -11.771877 | 0.465789 | 0.475500 | -6.093546 |
| NO | -25.958333 | 0.233297 | 0.244500 | -7.030061 |
| Na2 | -0.396700 | 0.022161 | 0.026800 | -2.911108 |
| NaCl | -15.296696 | 0.148743 | 0.157400 | -5.432173 |
| O2 | -32.028914 | 0.181739 | 0.192400 | -6.689986 |
| OH | -16.589610 | 0.164476 | 0.170200 | -3.592173 |
| P2 | -13.111363 | 0.181489 | 0.186000 | -2.830788 |
| PH2 | -7.721268 | 0.253238 | 0.244000 | 5.796902 |
| PH3 | -8.359389 | 0.389813 | 0.389000 | 0.510226 |
| S2 | -20.406242 | 0.161494 | 0.164000 | -1.572441 |
| SO | -26.240935 | 0.194973 | 0.200700 | -3.593513 |
| SO2 | -42.359666 | 0.390116 | 0.414400 | -15.238359 |
| Si2 | -7.651391 | 0.117991 | 0.121000 | -1.887894 |
| Si2H6 | -11.393669 | 0.850991 | 0.849000 | 1.249087 |
| SiH2_1A1 | -5.016390 | 0.246597 | 0.243000 | 2.257138 |
| SiH2_3B1 | -4.985386 | 0.215594 | 0.210000 | 3.510128 |
| SiH3 | -5.639377 | 0.368038 | 0.363000 | 3.161610 |
| SiH4 | -6.292994 | 0.520108 | 0.515000 | 3.205273 |
| SiO | -19.982273 | 0.291986 | 0.306700 | -9.233249 |
|---------+------------+----------+----------+------------|
| | | 6.75 | -5.53 | 6.09 |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
*** $\mu=0$
**** CIPSI
#+NAME: qz-cipsi-0.00
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+-----------+------|
| Be | -0.996113 | | | | 5 |
| C | -5.415582 | | | | 7 |
| Cl | -14.941294 | | | | 15 |
| F | -24.190210 | | | | 6 |
| H | -0.498770 | | | | 1 |
| Li | -0.200729 | | | | 1 |
| N | -9.783480 | | | | 6 |
| Na | -0.187500 | | | | 1 |
| O | -15.894959 | | | | 9 |
| P | -6.462693 | | | | 6 |
| S | -10.109762 | | | | 19 |
| Si | -3.762672 | | | | 9 |
|---------+------------+----------+----------+-----------+------|
| BeH | -1.583115 | 0.088232 | 0.079400 | 5.541972 | 12 |
| C2H2 | -12.488328 | 0.659624 | 0.642400 | 10.808245 | 47 |
| C2H4 | -13.736638 | 0.910393 | 0.899000 | 7.149120 | 95 |
| C2H6 | -14.966045 | 1.142260 | 1.136900 | 3.363185 | 95 |
| CH | -6.048946 | 0.134595 | 0.133900 | 0.435808 | 18 |
| CH2_1A1 | -6.698453 | 0.285331 | 0.288900 | -2.239894 | 23 |
| CH2_3B1 | -6.721641 | 0.308519 | 0.304100 | 2.772746 | 17 |
| CH3 | -7.405463 | 0.493570 | 0.490800 | 1.738166 | 17 |
| CH3Cl | -22.490905 | 0.637718 | 0.631000 | 4.215912 | 191 |
| CH4 | -8.080312 | 0.669649 | 0.670300 | -0.408667 | 23 |
| CN | -15.507119 | 0.308057 | 0.288800 | 12.084231 | 119 |
| CO | -21.735532 | 0.424992 | 0.413700 | 7.085892 | 47 |
| CO2 | -37.861631 | 0.656132 | 0.621400 | 21.794739 | 95 |
| CS | -15.811131 | 0.285787 | 0.274000 | 7.396201 | 47 |
| Cl2 | -29.991930 | 0.109342 | 0.094000 | 9.627435 | 47 |
| ClF | -39.247872 | 0.116368 | 0.100100 | 10.208333 | 95 |
| ClO | -30.963320 | 0.127067 | 0.104700 | 14.035822 | 154 |
| F2 | -48.459420 | 0.079000 | 0.062200 | 10.541862 | 11 |
| H2CO | -22.919626 | 0.611545 | 0.596700 | 9.315159 | 95 |
| H2O | -17.255335 | 0.362836 | 0.371900 | -5.687902 | 11 |
| H2O2 | -33.220095 | 0.432637 | 0.429400 | 2.031210 | 95 |
| H2S | -11.398296 | 0.290993 | 0.292000 | -0.631958 | 47 |
| H3COH | -24.128034 | 0.822412 | 0.818700 | 2.329429 | 383 |
| H3CSH | -18.281264 | 0.760838 | 0.757000 | 2.408673 | 383 |
| HCN | -16.213189 | 0.515356 | 0.496900 | 11.581428 | 47 |
| HCO | -22.271978 | 0.462668 | 0.444700 | 11.275066 | 107 |
| HCl | -15.610265 | 0.170201 | 0.171000 | -0.501417 | 23 |
| HF | -24.906845 | 0.217864 | 0.226100 | -5.168297 | 5 |
| HOCl | -31.609821 | 0.274799 | 0.264700 | 6.336979 | 191 |
| Li2 | -0.428651 | 0.027192 | 0.038900 | -7.346835 | 5 |
| LiF | -24.608638 | 0.217698 | 0.222000 | -2.699415 | 23 |
| LiH | -0.783831 | 0.084331 | 0.092430 | -5.081944 | 5 |
| N2 | -19.947110 | 0.380149 | 0.364600 | 9.757363 | 11 |
| N2H4 | -22.265074 | 0.703032 | 0.699600 | 2.153374 | 191 |
| NH | -10.420125 | 0.137874 | 0.133500 | 2.744896 | 9 |
| NH2 | -11.075337 | 0.294316 | 0.290400 | 2.457367 | 17 |
| NH3 | -11.753018 | 0.473227 | 0.475500 | -1.426539 | 11 |
| NO | -25.943564 | 0.265125 | 0.244500 | 12.942112 | 39 |
| Na2 | -0.393863 | 0.018862 | 0.026800 | -4.980927 | 5 |
| NaCl | -15.279741 | 0.150947 | 0.157400 | -4.049106 | 47 |
| O2 | -32.007136 | 0.217219 | 0.192400 | 15.574170 | 19 |
| OH | -16.562626 | 0.168897 | 0.170200 | -0.817527 | 7 |
| P2 | -13.119641 | 0.194256 | 0.186000 | 5.180530 | 47 |
| PH2 | -7.705612 | 0.245379 | 0.244000 | 0.865167 | 75 |
| PH3 | -8.341991 | 0.382987 | 0.389000 | -3.773112 | 95 |
| S2 | -20.404837 | 0.185312 | 0.164000 | 13.373657 | 91 |
| SO | -26.226737 | 0.222016 | 0.200700 | 13.375968 | 137 |
| SO2 | -42.347928 | 0.448248 | 0.414400 | 21.240017 | 190 |
| Si2 | -7.653149 | 0.127804 | 0.121000 | 4.269585 | 71 |
| Si2H6 | -11.351844 | 0.833877 | 0.849000 | -9.490093 | 191 |
| SiH2_1A1 | -4.999333 | 0.239120 | 0.243000 | -2.435017 | 47 |
| SiH2_3B1 | -4.969709 | 0.209496 | 0.210000 | -0.316282 | 69 |
| SiH3 | -5.614626 | 0.355642 | 0.363000 | -4.617318 | 122 |
| SiH4 | -6.262873 | 0.505119 | 0.515000 | -6.200410 | 95 |
| SiO | -19.969703 | 0.312072 | 0.306700 | 3.370795 | 95 |
|---------+------------+----------+----------+-----------+------|
| | | 6.35 | 3.88 | 7.20 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: qz-dmc-0.00
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+-----------+----------+------|
| Be | -0.998257 | 0.000053 | 0.000000 | 0.000075 | | | | 5 |
| C | -5.416982 | 0.000100 | 0.000000 | 0.000142 | | | | 7 |
| Cl | -14.941523 | 0.000161 | 0.000000 | 0.000228 | | | | 15 |
| F | -24.189470 | 0.000252 | 0.000000 | 0.000356 | | | | 6 |
| H | -0.500003 | 0.000003 | 0.000000 | 0.000004 | | | | 1 |
| Li | -0.196353 | 0.000001 | 0.000000 | 0.000001 | | | | 1 |
| N | -9.789185 | 0.000093 | 0.000000 | 0.000132 | | | | 6 |
| Na | -0.182093 | 0.000011 | 0.000000 | 0.000016 | | | | 1 |
| O | -15.893033 | 0.000140 | 0.000000 | 0.000197 | | | | 9 |
| P | -6.462550 | 0.000105 | 0.000000 | 0.000148 | | | | 6 |
| S | -10.108931 | 0.000147 | 0.000000 | 0.000208 | | | | 19 |
| Si | -3.758660 | 0.000096 | 0.000000 | 0.000135 | | | | 9 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+------|
| BeH | -1.588246 | 0.000084 | 0.089987 | 0.000099 | 0.079400 | 6.643330 | 0.062381 | 12 |
| C2H2 | -12.491964 | 0.000440 | 0.657994 | 0.000483 | 0.642400 | 9.785361 | 0.303235 | 47 |
| C2H4 | -13.744427 | 0.000251 | 0.910452 | 0.000322 | 0.899000 | 7.186096 | 0.202087 | 95 |
| C2H6 | -14.986022 | 0.000351 | 1.152040 | 0.000405 | 1.136900 | 9.500747 | 0.253828 | 95 |
| CH | -6.050004 | 0.000152 | 0.133019 | 0.000182 | 0.133900 | -0.552744 | 0.114077 | 18 |
| CH2_1A1 | -6.705378 | 0.000195 | 0.288390 | 0.000219 | 0.288900 | -0.319736 | 0.137646 | 23 |
| CH2_3B1 | -6.726726 | 0.000187 | 0.309738 | 0.000212 | 0.304100 | 3.538175 | 0.133286 | 17 |
| CH3 | -7.414007 | 0.000222 | 0.497017 | 0.000244 | 0.490800 | 3.901101 | 0.152954 | 17 |
| CH3Cl | -22.495070 | 0.000373 | 0.636557 | 0.000419 | 0.631000 | 3.486858 | 0.262726 | 191 |
| CH4 | -8.094375 | 0.000303 | 0.677381 | 0.000319 | 0.670300 | 4.443631 | 0.200209 | 23 |
| CN | -15.490216 | 0.000461 | 0.284049 | 0.000481 | 0.288800 | -2.981091 | 0.302079 | 119 |
| CO | -21.725909 | 0.000482 | 0.415893 | 0.000512 | 0.413700 | 1.376401 | 0.321142 | 47 |
| CO2 | -37.831330 | 0.000385 | 0.628281 | 0.000486 | 0.621400 | 4.317775 | 0.305191 | 95 |
| CS | -15.797010 | 0.000397 | 0.271097 | 0.000435 | 0.274000 | -1.821748 | 0.272866 | 47 |
| Cl2 | -29.976935 | 0.000242 | 0.093889 | 0.000403 | 0.094000 | -0.069604 | 0.253162 | 47 |
| ClF | -39.228659 | 0.000390 | 0.097667 | 0.000492 | 0.100100 | -1.527010 | 0.308621 | 95 |
| ClO | -30.934421 | 0.000293 | 0.099865 | 0.000362 | 0.104700 | -3.034285 | 0.227314 | 154 |
| F2 | -48.429157 | 0.000362 | 0.050217 | 0.000621 | 0.062200 | -7.519357 | 0.389442 | 11 |
| H2CO | -22.910746 | 0.000299 | 0.600725 | 0.000345 | 0.596700 | 2.525867 | 0.216443 | 95 |
| H2O | -17.258069 | 0.000281 | 0.365030 | 0.000313 | 0.371900 | -4.310869 | 0.196661 | 11 |
| H2O2 | -33.200067 | 0.000342 | 0.413994 | 0.000441 | 0.429400 | -9.667135 | 0.276916 | 95 |
| H2S | -11.399427 | 0.000293 | 0.290491 | 0.000328 | 0.292000 | -0.946842 | 0.205642 | 47 |
| H3COH | -24.131705 | 0.000519 | 0.821679 | 0.000547 | 0.818700 | 1.869087 | 0.343160 | 383 |
| H3CSH | -18.286397 | 0.000402 | 0.760473 | 0.000440 | 0.757000 | 2.179309 | 0.276279 | 383 |
| HCN | -16.208257 | 0.000508 | 0.502087 | 0.000526 | 0.496900 | 3.254822 | 0.329929 | 47 |
| HCO | -22.255600 | 0.000234 | 0.445582 | 0.000290 | 0.444700 | 0.553312 | 0.182042 | 107 |
| HCl | -15.612188 | 0.000262 | 0.170662 | 0.000308 | 0.171000 | -0.211815 | 0.193041 | 23 |
| HF | -24.909398 | 0.000327 | 0.219925 | 0.000412 | 0.226100 | -3.874563 | 0.258821 | 5 |
| HOCl | -31.593907 | 0.000403 | 0.259348 | 0.000456 | 0.264700 | -3.358706 | 0.286314 | 191 |
| Li2 | -0.427836 | 0.000061 | 0.035130 | 0.000061 | 0.038900 | -2.366012 | 0.038336 | 5 |
| LiF | -24.609450 | 0.000421 | 0.223627 | 0.000491 | 0.222000 | 1.021071 | 0.308070 | 23 |
| LiH | -0.788011 | 0.000060 | 0.091655 | 0.000060 | 0.092430 | -0.486213 | 0.037934 | 5 |
| N2 | -19.935320 | 0.000390 | 0.356951 | 0.000433 | 0.364600 | -4.799910 | 0.271597 | 11 |
| N2H4 | -22.263537 | 0.000345 | 0.685156 | 0.000393 | 0.699600 | -9.063858 | 0.246605 | 191 |
| NH | -10.419103 | 0.000148 | 0.129915 | 0.000175 | 0.133500 | -2.249665 | 0.110000 | 9 |
| NH2 | -11.076262 | 0.000210 | 0.287071 | 0.000230 | 0.290400 | -2.088887 | 0.144120 | 17 |
| NH3 | -11.759717 | 0.000253 | 0.470523 | 0.000270 | 0.475500 | -3.122881 | 0.169593 | 11 |
| NO | -25.917224 | 0.000550 | 0.235006 | 0.000575 | 0.244500 | -5.957526 | 0.361063 | 39 |
| Na2 | -0.391522 | 0.000067 | 0.027336 | 0.000071 | 0.026800 | 0.336293 | 0.044569 | 5 |
| NaCl | -15.282153 | 0.000326 | 0.158537 | 0.000364 | 0.157400 | 0.713729 | 0.228455 | 47 |
| O2 | -31.970663 | 0.000677 | 0.184596 | 0.000732 | 0.192400 | -4.897096 | 0.459369 | 19 |
| OH | -16.560230 | 0.000229 | 0.167193 | 0.000268 | 0.170200 | -1.886629 | 0.168473 | 7 |
| P2 | -13.101963 | 0.000428 | 0.176863 | 0.000476 | 0.186000 | -5.733488 | 0.298765 | 47 |
| PH2 | -7.705725 | 0.000325 | 0.243170 | 0.000341 | 0.244000 | -0.521042 | 0.214293 | 75 |
| PH3 | -8.346554 | 0.000460 | 0.383995 | 0.000472 | 0.389000 | -3.140509 | 0.296216 | 95 |
| S2 | -20.381617 | 0.000577 | 0.163756 | 0.000648 | 0.164000 | -0.153240 | 0.406610 | 91 |
| SO | -26.203097 | 0.000227 | 0.201133 | 0.000304 | 0.200700 | 0.271627 | 0.190877 | 137 |
| SO2 | -42.310663 | 0.000660 | 0.415665 | 0.000732 | 0.414400 | 0.794017 | 0.459321 | 190 |
| Si2 | -7.634119 | 0.000349 | 0.116800 | 0.000398 | 0.121000 | -2.635619 | 0.249912 | 71 |
| Si2H6 | -11.375782 | 0.000540 | 0.858445 | 0.000573 | 0.849000 | 5.927013 | 0.359364 | 191 |
| SiH2_1A1 | -5.003925 | 0.000286 | 0.245260 | 0.000302 | 0.243000 | 1.418044 | 0.189294 | 47 |
| SiH2_3B1 | -4.972627 | 0.000261 | 0.213961 | 0.000278 | 0.210000 | 2.485693 | 0.174270 | 69 |
| SiH3 | -5.625108 | 0.000419 | 0.366440 | 0.000430 | 0.363000 | 2.158357 | 0.269574 | 122 |
| SiH4 | -6.279824 | 0.000455 | 0.521153 | 0.000465 | 0.515000 | 3.861238 | 0.291920 | 95 |
| SiO | -19.956758 | 0.000627 | 0.305065 | 0.000650 | 0.306700 | -1.025872 | 0.407693 | 95 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+------|
| | 3.16 | 0.26 | -0.12 | 4.119 | 0.025 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.3f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.3f
*** $\mu=1/4$
**** CIPSI
#+NAME: qz-cipsi-0.25
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+-------|
| Be | -0.995133 | | | | 42 |
| C | -5.418574 | | | | 5 |
| Cl | -14.940577 | | | | 124 |
| F | -24.192413 | | | | 8 |
| H | -0.500154 | | | | 1 |
| Li | -0.199046 | | | | 1 |
| N | -9.788884 | | | | 5 |
| Na | -0.184711 | | | | 1 |
| O | -15.896924 | | | | 6 |
| P | -6.462873 | | | | 91 |
| S | -10.109115 | | | | 144 |
| Si | -3.760778 | | | | 65 |
|---------+------------+----------+----------+------------+-------|
| BeH | -1.585287 | 0.089999 | 0.079400 | 6.651146 | 19 |
| C2H2 | -12.490143 | 0.652687 | 0.642400 | 6.454958 | 569 |
| C2H4 | -13.739967 | 0.902201 | 0.899000 | 2.008897 | 2140 |
| C2H6 | -14.973563 | 1.135490 | 1.136900 | -0.885053 | 5884 |
| CH | -6.050076 | 0.131348 | 0.133900 | -1.601662 | 59 |
| CH2_1A1 | -6.699553 | 0.280670 | 0.288900 | -5.164125 | 120 |
| CH2_3B1 | -6.724838 | 0.305955 | 0.304100 | 1.164258 | 79 |
| CH3 | -7.408267 | 0.489230 | 0.490800 | -0.985183 | 328 |
| CH3Cl | -22.491578 | 0.631964 | 0.631000 | 0.605081 | 10875 |
| CH4 | -8.083269 | 0.664078 | 0.670300 | -3.904097 | 515 |
| CN | -15.503126 | 0.295668 | 0.288800 | 4.309557 | 721 |
| CO | -21.740138 | 0.424640 | 0.413700 | 6.864805 | 340 |
| CO2 | -37.865186 | 0.652764 | 0.621400 | 19.680965 | 1846 |
| CS | -15.805438 | 0.277750 | 0.274000 | 2.352969 | 1350 |
| Cl2 | -29.986173 | 0.105019 | 0.094000 | 6.914315 | 1326 |
| ClF | -39.248441 | 0.115450 | 0.100100 | 9.632539 | 829 |
| ClO | -30.960447 | 0.122946 | 0.104700 | 11.449436 | 1504 |
| F2 | -48.462443 | 0.077616 | 0.062200 | 9.673703 | 26 |
| H2CO | -22.923565 | 0.607758 | 0.596700 | 6.939081 | 1382 |
| H2O | -17.259107 | 0.361874 | 0.371900 | -6.291285 | 23 |
| H2O2 | -33.225897 | 0.431740 | 0.429400 | 1.468151 | 2870 |
| H2S | -11.395256 | 0.285833 | 0.292000 | -3.869862 | 345 |
| H3COH | -24.135671 | 0.819556 | 0.818700 | 0.537234 | 12607 |
| H3CSH | -18.282185 | 0.753880 | 0.757000 | -1.957882 | 38269 |
| HCN | -16.215047 | 0.507435 | 0.496900 | 6.610525 | 781 |
| HCO | -22.275088 | 0.459436 | 0.444700 | 9.246837 | 1986 |
| HCl | -15.608648 | 0.167917 | 0.171000 | -1.934630 | 290 |
| HF | -24.910577 | 0.218010 | 0.226100 | -5.076654 | 5 |
| HOCl | -31.610886 | 0.273230 | 0.264700 | 5.352862 | 8312 |
| Li2 | -0.427563 | 0.029470 | 0.038900 | -5.917275 | 25 |
| LiF | -24.614436 | 0.222976 | 0.222000 | 0.612559 | 23 |
| LiH | -0.785150 | 0.085949 | 0.092430 | -4.066948 | 1 |
| N2 | -19.950249 | 0.372482 | 0.364600 | 4.946099 | 200 |
| N2H4 | -22.272004 | 0.693620 | 0.699600 | -3.752678 | 13079 |
| NH | -10.421403 | 0.132365 | 0.133500 | -0.712094 | 16 |
| NH2 | -11.077264 | 0.288072 | 0.290400 | -1.460914 | 156 |
| NH3 | -11.756540 | 0.467194 | 0.475500 | -5.212386 | 398 |
| NO | -25.946883 | 0.261075 | 0.244500 | 10.400909 | 241 |
| Na2 | -0.390791 | 0.021369 | 0.026800 | -3.408245 | 55 |
| NaCl | -15.280424 | 0.155136 | 0.157400 | -1.420803 | 2934 |
| O2 | -32.009793 | 0.215944 | 0.192400 | 14.774394 | 137 |
| OH | -16.564845 | 0.167766 | 0.170200 | -1.527230 | 8 |
| P2 | -13.105693 | 0.179947 | 0.186000 | -3.798549 | 1599 |
| PH2 | -7.702278 | 0.239097 | 0.244000 | -3.076867 | 352 |
| PH3 | -8.338613 | 0.375277 | 0.389000 | -8.611482 | 1420 |
| S2 | -20.394469 | 0.176240 | 0.164000 | 7.680452 | 4925 |
| SO | -26.225825 | 0.219786 | 0.200700 | 11.976514 | 2605 |
| SO2 | -42.350198 | 0.447235 | 0.414400 | 20.603995 | 17114 |
| Si2 | -7.637127 | 0.115571 | 0.121000 | -3.407024 | 2494 |
| Si2H6 | -11.353425 | 0.830944 | 0.849000 | -11.330617 | 12867 |
| SiH2_1A1 | -4.996184 | 0.235097 | 0.243000 | -4.959125 | 354 |
| SiH2_3B1 | -4.969663 | 0.208577 | 0.210000 | -0.893204 | 597 |
| SiH3 | -5.615196 | 0.353955 | 0.363000 | -5.675996 | 1437 |
| SiH4 | -6.263611 | 0.502216 | 0.515000 | -8.022127 | 2251 |
| SiO | -19.970255 | 0.312553 | 0.306700 | 3.672653 | 2155 |
|---------+------------+----------+----------+------------+-------|
| | | 5.48 | 1.52 | 6.93 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: qz-dmc-0.25
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+-----------+----------+-------|
| Be | -1.002938 | 0.000039 | 0.000000 | 0.000055 | | | | 42 |
| C | -5.417876 | 0.000075 | 0.000000 | 0.000106 | | | | 5 |
| Cl | -14.944556 | 0.000140 | 0.000000 | 0.000199 | | | | 124 |
| F | -24.189626 | 0.000167 | 0.000000 | 0.000237 | | | | 8 |
| H | -0.500003 | 0.000003 | 0.000000 | 0.000004 | | | | 1 |
| Li | -0.196353 | 0.000001 | 0.000000 | 0.000001 | | | | 1 |
| N | -9.789256 | 0.000069 | 0.000000 | 0.000098 | | | | 5 |
| Na | -0.182093 | 0.000011 | 0.000000 | 0.000016 | | | | 1 |
| O | -15.892887 | 0.000052 | 0.000000 | 0.000074 | | | | 6 |
| P | -6.464934 | 0.000111 | 0.000000 | 0.000157 | | | | 91 |
| S | -10.112105 | 0.000039 | 0.000000 | 0.000056 | | | | 144 |
| Si | -3.760396 | 0.000027 | 0.000000 | 0.000039 | | | | 65 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+-------|
| BeH | -1.589059 | 0.000072 | 0.086118 | 0.000082 | 0.079400 | 4.215448 | 0.051571 | 19 |
| C2H2 | -12.494091 | 0.000117 | 0.658333 | 0.000190 | 0.642400 | 9.997862 | 0.119078 | 569 |
| C2H4 | -13.746601 | 0.000181 | 0.910837 | 0.000235 | 0.899000 | 7.427667 | 0.147410 | 2140 |
| C2H6 | -14.986311 | 0.000323 | 1.150541 | 0.000356 | 1.136900 | 8.559772 | 0.223334 | 5884 |
| CH | -6.051364 | 0.000138 | 0.133485 | 0.000157 | 0.133900 | -0.260635 | 0.098622 | 59 |
| CH2_1A1 | -6.707476 | 0.000171 | 0.289594 | 0.000187 | 0.288900 | 0.435632 | 0.117236 | 120 |
| CH2_3B1 | -6.727407 | 0.000155 | 0.309525 | 0.000172 | 0.304100 | 3.404335 | 0.108012 | 79 |
| CH3 | -7.414577 | 0.000228 | 0.496692 | 0.000240 | 0.490800 | 3.697052 | 0.150812 | 328 |
| CH3Cl | -22.499493 | 0.000431 | 0.637051 | 0.000459 | 0.631000 | 3.797375 | 0.288136 | 10875 |
| CH4 | -8.095278 | 0.000370 | 0.677390 | 0.000377 | 0.670300 | 4.449199 | 0.236721 | 515 |
| CN | -15.495774 | 0.000580 | 0.288642 | 0.000588 | 0.288800 | -0.099272 | 0.369232 | 721 |
| CO | -21.728158 | 0.000517 | 0.417395 | 0.000525 | 0.413700 | 2.318495 | 0.329371 | 340 |
| CO2 | -37.832935 | 0.000818 | 0.629285 | 0.000828 | 0.621400 | 4.947609 | 0.519360 | 1846 |
| CS | -15.804483 | 0.000424 | 0.274501 | 0.000433 | 0.274000 | 0.314488 | 0.271590 | 1350 |
| Cl2 | -29.984598 | 0.000373 | 0.095485 | 0.000467 | 0.094000 | 0.932063 | 0.292734 | 1326 |
| ClF | -39.231612 | 0.000339 | 0.097430 | 0.000403 | 0.100100 | -1.675158 | 0.253047 | 829 |
| ClO | -30.939375 | 0.000253 | 0.101932 | 0.000294 | 0.104700 | -1.736998 | 0.184625 | 1504 |
| F2 | -48.430097 | 0.000224 | 0.050846 | 0.000403 | 0.062200 | -7.125030 | 0.252866 | 26 |
| H2CO | -22.913163 | 0.000281 | 0.602393 | 0.000296 | 0.596700 | 3.572645 | 0.185497 | 1382 |
| H2O | -17.257894 | 0.000247 | 0.365002 | 0.000253 | 0.371900 | -4.328755 | 0.158499 | 23 |
| H2O2 | -33.202749 | 0.000358 | 0.416969 | 0.000373 | 0.429400 | -7.800661 | 0.233981 | 2870 |
| H2S | -11.402570 | 0.000078 | 0.290459 | 0.000088 | 0.292000 | -0.967113 | 0.055028 | 345 |
| H3COH | -24.133042 | 0.000486 | 0.822267 | 0.000495 | 0.818700 | 2.238148 | 0.310451 | 12607 |
| H3CSH | -18.290270 | 0.000611 | 0.760277 | 0.000617 | 0.757000 | 2.056450 | 0.387332 | 38269 |
| HCN | -16.210974 | 0.000560 | 0.503839 | 0.000569 | 0.496900 | 4.354451 | 0.356994 | 781 |
| HCO | -22.257793 | 0.000227 | 0.447026 | 0.000244 | 0.444700 | 1.459740 | 0.153371 | 1986 |
| HCl | -15.615072 | 0.000064 | 0.170513 | 0.000154 | 0.171000 | -0.305878 | 0.096843 | 290 |
| HF | -24.908978 | 0.000225 | 0.219349 | 0.000280 | 0.226100 | -4.236047 | 0.175771 | 5 |
| HOCl | -31.597675 | 0.000535 | 0.260229 | 0.000556 | 0.264700 | -2.805717 | 0.348806 | 8312 |
| Li2 | -0.430271 | 0.000068 | 0.037564 | 0.000068 | 0.038900 | -0.838362 | 0.042777 | 25 |
| LiF | -24.609492 | 0.000101 | 0.223513 | 0.000195 | 0.222000 | 0.949174 | 0.122562 | 23 |
| LiH | -0.788002 | 0.000039 | 0.091645 | 0.000039 | 0.092430 | -0.492316 | 0.024461 | 1 |
| N2 | -19.938355 | 0.000398 | 0.359843 | 0.000421 | 0.364600 | -2.985240 | 0.264476 | 200 |
| N2H4 | -22.265279 | 0.000350 | 0.686756 | 0.000377 | 0.699600 | -8.059900 | 0.236267 | 13079 |
| NH | -10.419028 | 0.000123 | 0.129769 | 0.000141 | 0.133500 | -2.341308 | 0.088359 | 16 |
| NH2 | -11.076950 | 0.000227 | 0.287688 | 0.000237 | 0.290400 | -1.701795 | 0.148942 | 156 |
| NH3 | -11.760248 | 0.000399 | 0.470983 | 0.000405 | 0.475500 | -2.834438 | 0.254124 | 398 |
| NO | -25.919163 | 0.000536 | 0.237020 | 0.000543 | 0.244500 | -4.693549 | 0.340530 | 241 |
| Na2 | -0.391199 | 0.000032 | 0.027012 | 0.000039 | 0.026800 | 0.133328 | 0.024282 | 55 |
| NaCl | -15.285533 | 0.000513 | 0.158884 | 0.000532 | 0.157400 | 0.930924 | 0.334005 | 2934 |
| O2 | -31.973871 | 0.000687 | 0.188097 | 0.000695 | 0.192400 | -2.700261 | 0.435901 | 137 |
| OH | -16.560042 | 0.000126 | 0.167152 | 0.000136 | 0.170200 | -1.912559 | 0.085442 | 8 |
| P2 | -13.109553 | 0.000568 | 0.179686 | 0.000610 | 0.186000 | -3.962250 | 0.382525 | 1599 |
| PH2 | -7.708833 | 0.000244 | 0.243894 | 0.000268 | 0.244000 | -0.066708 | 0.168278 | 352 |
| PH3 | -8.349334 | 0.000506 | 0.384392 | 0.000518 | 0.389000 | -2.891463 | 0.325190 | 1420 |
| S2 | -20.388781 | 0.000236 | 0.164571 | 0.000249 | 0.164000 | 0.358163 | 0.156037 | 4925 |
| SO | -26.206785 | 0.000297 | 0.201793 | 0.000304 | 0.200700 | 0.685633 | 0.191019 | 2605 |
| SO2 | -42.317283 | 0.000835 | 0.419404 | 0.000843 | 0.414400 | 3.139903 | 0.528705 | 17114 |
| Si2 | -7.638372 | 0.000473 | 0.117580 | 0.000476 | 0.121000 | -2.146359 | 0.298922 | 2494 |
| Si2H6 | -11.378770 | 0.000467 | 0.857960 | 0.000470 | 0.849000 | 5.622696 | 0.295226 | 12867 |
| SiH2_1A1 | -5.006050 | 0.000247 | 0.245648 | 0.000248 | 0.243000 | 1.661813 | 0.155917 | 354 |
| SiH2_3B1 | -4.974397 | 0.000267 | 0.213995 | 0.000268 | 0.210000 | 2.506722 | 0.168150 | 597 |
| SiH3 | -5.626385 | 0.000121 | 0.365980 | 0.000124 | 0.363000 | 1.870270 | 0.077904 | 1437 |
| SiH4 | -6.281099 | 0.000478 | 0.520692 | 0.000479 | 0.515000 | 3.571494 | 0.300315 | 2251 |
| SiO | -19.961401 | 0.000239 | 0.308118 | 0.000246 | 0.306700 | 0.889539 | 0.154490 | 2155 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+-------|
| | 2.90 | 0.25 | 0.39 | 3.745 | 0.005 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.3f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.3f
*** $\mu=1/2$
**** CIPSI
#+NAME: qz-cipsi-0.50
| | e_cal | ae_cal | ae_nr | ae_diff | Ndet |
| | Hartree | Hartree | Hartree | kcal/mol | |
|---------+------------+----------+----------+------------+---------|
| Be | -0.999244 | | | | 53 |
| C | -5.426998 | | | | 292 |
| Cl | -14.947964 | | | | 3297 |
| F | -24.217393 | | | | 222 |
| H | -0.503289 | | | | 1 |
| Li | -0.196938 | | | | 1 |
| N | -9.803449 | | | | 161 |
| Na | -0.182546 | | | | 1 |
| O | -15.916012 | | | | 314 |
| P | -6.465937 | | | | 1155 |
| S | -10.113623 | | | | 2548 |
| Si | -3.760405 | | | | 1064 |
|---------+------------+----------+----------+------------+---------|
| BeH | -1.588237 | 0.085704 | 0.079400 | 3.955757 | 832 |
| C2H2 | -12.494691 | 0.634115 | 0.642400 | -5.198991 | 44849 |
| C2H4 | -13.748208 | 0.881053 | 0.899000 | -11.261902 | 176223 |
| C2H6 | -14.988175 | 1.114441 | 1.136900 | -14.093331 | 1730917 |
| CH | -6.056113 | 0.125825 | 0.133900 | -5.067187 | 1347 |
| CH2_1A1 | -6.706420 | 0.272842 | 0.288900 | -10.076400 | 6122 |
| CH2_3B1 | -6.733935 | 0.300358 | 0.304100 | -2.348100 | 7896 |
| CH3 | -7.417628 | 0.480761 | 0.490800 | -6.299356 | 22475 |
| CH3Cl | -22.501861 | 0.617031 | 0.631000 | -8.765633 | 1481325 |
| CH4 | -8.093577 | 0.653421 | 0.670300 | -10.591717 | 152351 |
| CN | -15.503961 | 0.273514 | 0.288800 | -9.592282 | 48132 |
| CO | -21.750950 | 0.407940 | 0.413700 | -3.614443 | 28515 |
| CO2 | -37.881120 | 0.622099 | 0.621400 | 0.438449 | 205259 |
| CS | -15.804719 | 0.264098 | 0.274000 | -6.213870 | 210314 |
| Cl2 | -29.991909 | 0.095982 | 0.094000 | 1.243454 | 744248 |
| ClF | -39.267335 | 0.101978 | 0.100100 | 1.178535 | 91236 |
| ClO | -30.969026 | 0.105051 | 0.104700 | 0.220009 | 218230 |
| F2 | -48.491509 | 0.056722 | 0.062200 | -3.437436 | 12994 |
| H2CO | -22.936125 | 0.586536 | 0.596700 | -6.378001 | 96920 |
| H2O | -17.275666 | 0.353076 | 0.371900 | -11.812535 | 6385 |
| H2O2 | -33.245714 | 0.407112 | 0.429400 | -13.985917 | 224948 |
| H2S | -11.399974 | 0.279772 | 0.292000 | -7.673428 | 24580 |
| H3COH | -24.155854 | 0.799686 | 0.818700 | -11.931540 | 767277 |
| H3CSH | -18.290088 | 0.736309 | 0.757000 | -12.983950 | 1471543 |
| HCN | -16.220032 | 0.486295 | 0.496900 | -6.654462 | 90087 |
| HCO | -22.285095 | 0.438795 | 0.444700 | -3.705432 | 264646 |
| HCl | -15.615378 | 0.164125 | 0.171000 | -4.314148 | 11828 |
| HF | -24.934444 | 0.213761 | 0.226100 | -7.742622 | 2438 |
| HOCl | -31.623491 | 0.256226 | 0.264700 | -5.317269 | 833425 |
| Li2 | -0.429619 | 0.035744 | 0.038900 | -1.980329 | 180 |
| LiF | -24.637272 | 0.222941 | 0.222000 | 0.590569 | 43868 |
| LiH | -0.786895 | 0.086668 | 0.092430 | -3.615549 | 395 |
| N2 | -19.957050 | 0.350153 | 0.364600 | -9.065931 | 13243 |
| N2H4 | -22.287467 | 0.667412 | 0.699600 | -20.198424 | 852894 |
| NH | -10.433384 | 0.126646 | 0.133500 | -4.300974 | 4446 |
| NH2 | -11.088118 | 0.278091 | 0.290400 | -7.724329 | 9026 |
| NH3 | -11.767631 | 0.454313 | 0.475500 | -13.294809 | 29383 |
| NO | -25.958343 | 0.238883 | 0.244500 | -3.524805 | 43867 |
| Na2 | -0.390409 | 0.025317 | 0.026800 | -0.930611 | 102 |
| NaCl | -15.286774 | 0.156265 | 0.157400 | -0.712297 | 48248 |
| O2 | -32.025095 | 0.193072 | 0.192400 | 0.421444 | 34289 |
| OH | -16.582297 | 0.162996 | 0.170200 | -4.520629 | 3298 |
| P2 | -13.103741 | 0.171867 | 0.186000 | -8.868503 | 829197 |
| PH2 | -7.705763 | 0.233247 | 0.244000 | -6.747395 | 24093 |
| PH3 | -8.343094 | 0.367289 | 0.389000 | -13.623870 | 104522 |
| S2 | -20.394250 | 0.167004 | 0.164000 | 1.884880 | 4183273 |
| SO | -26.233230 | 0.203595 | 0.200700 | 1.816878 | 295075 |
| SO2 | -42.361600 | 0.415953 | 0.414400 | 0.974710 | 5879386 |
| Si2 | -7.634801 | 0.113992 | 0.121000 | -4.397388 | 1158264 |
| Si2H6 | -11.366159 | 0.825613 | 0.849000 | -14.675632 | 1649388 |
| SiH2_1A1 | -4.998740 | 0.231756 | 0.243000 | -7.055508 | 9998 |
| SiH2_3B1 | -4.973700 | 0.206717 | 0.210000 | -2.060386 | 16106 |
| SiH3 | -5.622160 | 0.351887 | 0.363000 | -6.973443 | 78705 |
| SiH4 | -6.273254 | 0.499691 | 0.515000 | -9.606554 | 95042 |
| SiO | -19.977172 | 0.300756 | 0.306700 | -3.730222 | 127437 |
|---------+------------+----------+----------+------------+---------|
| | | 6.35 | -5.89 | 5.18 | |
#+TBLFM: @>$3='(org-sbe "madformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$5..@>>$5) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$5..@>>$5) );%0.2f
**** DMC
#+NAME: qz-dmc-0.50
| | Total E | | Delta E | | Reference | Error | | Ndet |
| | Hartree | | Hartree | | Hartree | kcal/mol | | |
|---------+------------+----------+----------+----------+-----------+-----------+----------+---------|
| Be | -1.008936 | 0.000023 | 0.000000 | 0.000033 | | | | 53 |
| C | -5.423260 | 0.000076 | 0.000000 | 0.000107 | | | | 292 |
| Cl | -14.954148 | 0.000202 | 0.000000 | 0.000286 | | | | 3297 |
| F | -24.191477 | 0.000252 | 0.000000 | 0.000356 | | | | 222 |
| H | -0.500003 | 0.000003 | 0.000000 | 0.000004 | | | | 1 |
| Li | -0.196353 | 0.000001 | 0.000000 | 0.000001 | | | | 1 |
| N | -9.791893 | 0.000090 | 0.000000 | 0.000127 | | | | 161 |
| Na | -0.182093 | 0.000011 | 0.000000 | 0.000016 | | | | 1 |
| O | -15.894937 | 0.000166 | 0.000000 | 0.000235 | | | | 314 |
| P | -6.470693 | 0.000131 | 0.000000 | 0.000185 | | | | 1155 |
| S | -10.120612 | 0.000159 | 0.000000 | 0.000225 | | | | 2548 |
| Si | -3.764505 | 0.000087 | 0.000000 | 0.000123 | | | | 1064 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+---------|
| BeH | -1.591076 | 0.000014 | 0.082138 | 0.000027 | 0.079400 | 1.717998 | 0.017147 | 832 |
| C2H2 | -12.498281 | 0.000132 | 0.651757 | 0.000201 | 0.642400 | 5.871354 | 0.126046 | 44849 |
| C2H4 | -13.750918 | 0.000161 | 0.904388 | 0.000221 | 0.899000 | 3.380793 | 0.138658 | 176223 |
| C2H6 | -14.988213 | 0.000510 | 1.141676 | 0.000532 | 1.136900 | 2.997250 | 0.333909 | 1730917 |
| CH | -6.057662 | 0.000209 | 0.134400 | 0.000222 | 0.133900 | 0.313648 | 0.139280 | 1347 |
| CH2_1A1 | -6.713371 | 0.000052 | 0.290105 | 0.000092 | 0.288900 | 0.756312 | 0.057541 | 6122 |
| CH2_3B1 | -6.729564 | 0.000048 | 0.306299 | 0.000090 | 0.304100 | 1.379802 | 0.056494 | 7896 |
| CH3 | -7.416224 | 0.000080 | 0.492956 | 0.000111 | 0.490800 | 1.352668 | 0.069349 | 22475 |
| CH3Cl | -22.507086 | 0.000639 | 0.629669 | 0.000675 | 0.631000 | -0.835019 | 0.423506 | 1481325 |
| CH4 | -8.094495 | 0.000511 | 0.671224 | 0.000517 | 0.670300 | 0.579631 | 0.324427 | 152351 |
| CN | -15.503381 | 0.001043 | 0.288228 | 0.001049 | 0.288800 | -0.358890 | 0.658412 | 48132 |
| CO | -21.735123 | 0.000184 | 0.416926 | 0.000259 | 0.413700 | 2.024133 | 0.162516 | 28515 |
| CO2 | -37.840680 | 0.000532 | 0.627546 | 0.000632 | 0.621400 | 3.856748 | 0.396313 | 205259 |
| CS | -15.817930 | 0.000160 | 0.274059 | 0.000238 | 0.274000 | 0.036753 | 0.149415 | 210314 |
| Cl2 | -30.003285 | 0.000697 | 0.094989 | 0.000806 | 0.094000 | 0.620667 | 0.505577 | 744248 |
| ClF | -39.242135 | 0.000505 | 0.096510 | 0.000599 | 0.100100 | -2.252912 | 0.376015 | 91236 |
| ClO | -30.951000 | 0.000517 | 0.101915 | 0.000580 | 0.104700 | -1.747928 | 0.363737 | 218230 |
| F2 | -48.435978 | 0.000535 | 0.053024 | 0.000735 | 0.062200 | -5.758056 | 0.461165 | 12994 |
| H2CO | -22.917290 | 0.000421 | 0.599087 | 0.000459 | 0.596700 | 1.497898 | 0.288045 | 96920 |
| H2O | -17.259667 | 0.000126 | 0.364724 | 0.000209 | 0.371900 | -4.502851 | 0.130863 | 6385 |
| H2O2 | -33.208496 | 0.001298 | 0.418616 | 0.001339 | 0.429400 | -6.767230 | 0.840434 | 224948 |
| H2S | -11.410768 | 0.000106 | 0.290151 | 0.000191 | 0.292000 | -1.160352 | 0.120076 | 24580 |
| H3COH | -24.140019 | 0.000912 | 0.821810 | 0.000930 | 0.818700 | 1.951836 | 0.583651 | 767277 |
| H3CSH | -18.294070 | 0.000783 | 0.750187 | 0.000803 | 0.757000 | -4.274967 | 0.503869 | 1471543 |
| HCN | -16.212033 | 0.001145 | 0.496877 | 0.001151 | 0.496900 | -0.014286 | 0.722279 | 90087 |
| HCO | -22.263218 | 0.000376 | 0.445018 | 0.000418 | 0.444700 | 0.199498 | 0.262080 | 264646 |
| HCl | -15.624439 | 0.000606 | 0.170288 | 0.000639 | 0.171000 | -0.446721 | 0.400937 | 11828 |
| HF | -24.913752 | 0.001045 | 0.222272 | 0.001075 | 0.226100 | -2.402033 | 0.674472 | 2438 |
| HOCl | -31.609230 | 0.000708 | 0.260142 | 0.000755 | 0.264700 | -2.860417 | 0.473654 | 833425 |
| Li2 | -0.431518 | 0.000011 | 0.038811 | 0.000011 | 0.038900 | -0.055827 | 0.006934 | 180 |
| LiF | -24.610026 | 0.000241 | 0.222196 | 0.000349 | 0.222000 | 0.122718 | 0.218790 | 43868 |
| LiH | -0.788462 | 0.000043 | 0.092105 | 0.000043 | 0.092430 | -0.203712 | 0.026844 | 395 |
| N2 | -19.944826 | 0.000176 | 0.361039 | 0.000251 | 0.364600 | -2.234271 | 0.157774 | 13243 |
| N2H4 | -22.269712 | 0.000946 | 0.685914 | 0.000963 | 0.699600 | -8.587967 | 0.604160 | 852894 |
| NH | -10.421923 | 0.000057 | 0.130027 | 0.000107 | 0.133500 | -2.179318 | 0.066882 | 4446 |
| NH2 | -11.078903 | 0.000085 | 0.287005 | 0.000124 | 0.290400 | -2.130600 | 0.077538 | 9026 |
| NH3 | -11.761894 | 0.000080 | 0.469992 | 0.000121 | 0.475500 | -3.456112 | 0.075924 | 29383 |
| NO | -25.926130 | 0.000479 | 0.239300 | 0.000515 | 0.244500 | -3.263265 | 0.323094 | 43867 |
| Na2 | -0.391144 | 0.000023 | 0.026958 | 0.000032 | 0.026800 | 0.099104 | 0.020049 | 102 |
| NaCl | -15.295092 | 0.000675 | 0.158851 | 0.000705 | 0.157400 | 0.910275 | 0.442149 | 48248 |
| O2 | -31.979063 | 0.000287 | 0.189188 | 0.000439 | 0.192400 | -2.015337 | 0.275350 | 34289 |
| OH | -16.562182 | 0.000069 | 0.167242 | 0.000180 | 0.170200 | -1.856087 | 0.112682 | 3298 |
| P2 | -13.123155 | 0.000242 | 0.181769 | 0.000356 | 0.186000 | -2.654890 | 0.223554 | 829197 |
| PH2 | -7.713700 | 0.000299 | 0.243002 | 0.000326 | 0.244000 | -0.626468 | 0.204874 | 24093 |
| PH3 | -8.354123 | 0.000150 | 0.383421 | 0.000199 | 0.389000 | -3.500612 | 0.125123 | 104522 |
| S2 | -20.405199 | 0.000543 | 0.163976 | 0.000630 | 0.164000 | -0.015168 | 0.395217 | 4183273 |
| SO | -26.217414 | 0.000482 | 0.201865 | 0.000534 | 0.200700 | 0.731279 | 0.334908 | 295075 |
| SO2 | -42.325839 | 0.000976 | 0.415353 | 0.001043 | 0.414400 | 0.597851 | 0.654674 | 5879386 |
| Si2 | -7.645684 | 0.000467 | 0.116674 | 0.000498 | 0.121000 | -2.714528 | 0.312416 | 1158264 |
| Si2H6 | -11.385204 | 0.000628 | 0.856177 | 0.000652 | 0.849000 | 4.503695 | 0.409268 | 1649388 |
| SiH2_1A1 | -5.010329 | 0.000061 | 0.245818 | 0.000106 | 0.243000 | 1.768226 | 0.066760 | 9998 |
| SiH2_3B1 | -4.978005 | 0.000055 | 0.213495 | 0.000103 | 0.210000 | 2.192943 | 0.064684 | 16106 |
| SiH3 | -5.629676 | 0.000090 | 0.365163 | 0.000126 | 0.363000 | 1.357086 | 0.078799 | 78705 |
| SiH4 | -6.284045 | 0.000114 | 0.519529 | 0.000144 | 0.515000 | 2.841690 | 0.090184 | 95042 |
| SiO | -19.967776 | 0.000424 | 0.308334 | 0.000463 | 0.306700 | 1.025334 | 0.290557 | 127437 |
|---------+------------+----------+----------+----------+-----------+-----------+----------+---------|
| | 2.06 | 0.35 | -0.44 | 2.740 | 0.125 | | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.3f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.3f
*** FCI
**** CIPSI
#+NAME: qz-cipsi-inf
| | Total E | | Delta E | | Reference | Error | |
| | Hartree | | Hartree | | Hartree | kcal/mol | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | e_cal | ae_cal | ae_nr | ae_diff | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| Be | -1.009626 | 0.000009 | 0.000000 | 0.000012 | | | |
| C | -5.432164 | 0.000004 | 0.000000 | 0.000006 | | | |
| Cl | -14.967668 | 0.000005 | 0.000000 | 0.000007 | | | |
| F | -24.186155 | 0.000003 | 0.000000 | 0.000004 | | | |
| H | -0.499916 | 0.000000 | | 0.000000 | | | |
| Li | -0.196307 | 0.000000 | | 0.000000 | | | |
| N | -9.798444 | 0.000001 | 0.000000 | 0.000002 | | | |
| Na | -0.181980 | 0.000000 | | 0.000000 | | | |
| O | -15.897642 | 0.000002 | 0.000000 | 0.000003 | | | |
| P | -6.476064 | 0.000001 | 0.000000 | 0.000002 | | | |
| S | -10.128682 | 0.000000 | 0.000000 | 0.000001 | | | |
| Si | -3.766939 | 0.000002 | 0.000000 | 0.000002 | | | |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| BeH | -1.588951 | 0.000031 | 0.079409 | 0.000032 | 0.079400 | 0.005936 | 0.019943 |
| C2H2 | -12.499381 | 0.000056 | 0.635222 | 0.000057 | 0.642400 | -4.504129 | 0.035633 |
| C2H4 | -13.749829 | 0.000755 | 0.885838 | 0.000755 | 0.899000 | -8.259487 | 0.473798 |
| C2H6 | -14.976671 | 0.002502 | 1.112848 | 0.002502 | 1.136900 | -15.092883 | 1.570321 |
| CH | -6.064087 | 0.000002 | 0.132008 | 0.000005 | 0.133900 | -1.187362 | 0.002922 |
| CH2_1A1 | -6.716786 | 0.000001 | 0.284791 | 0.000004 | 0.288900 | -2.578570 | 0.002633 |
| CH2_3B1 | -6.731323 | 0.000002 | 0.299328 | 0.000004 | 0.304100 | -2.994534 | 0.002764 |
| CH3 | -7.415727 | 0.000020 | 0.483816 | 0.000020 | 0.490800 | -4.382561 | 0.012661 |
| CH3Cl | -22.521516 | 0.001709 | 0.621936 | 0.001709 | 0.631000 | -5.687506 | 1.072221 |
| CH4 | -8.093853 | 0.000056 | 0.662026 | 0.000056 | 0.670300 | -5.192118 | 0.035136 |
| CN | -15.513348 | 0.000021 | 0.282740 | 0.000022 | 0.288800 | -3.802447 | 0.013682 |
| CO | -21.738670 | 0.000219 | 0.408865 | 0.000219 | 0.413700 | -3.034243 | 0.137599 |
| CO2 | -37.838700 | 0.001069 | 0.611253 | 0.001069 | 0.621400 | -6.367363 | 0.670811 |
| CS | -15.829917 | 0.000200 | 0.269071 | 0.000200 | 0.274000 | -3.092953 | 0.125661 |
| Cl2 | -30.027659 | 0.000014 | 0.092322 | 0.000017 | 0.094000 | -1.052786 | 0.010930 |
| ClF | -39.249390 | 0.000609 | 0.095566 | 0.000609 | 0.100100 | -2.844986 | 0.382114 |
| ClO | -30.966211 | 0.000499 | 0.100901 | 0.000499 | 0.104700 | -2.383929 | 0.313427 |
| F2 | -48.431244 | 0.000054 | 0.058933 | 0.000054 | 0.062200 | -2.050000 | 0.033800 |
| H2CO | -22.917424 | 0.000211 | 0.587787 | 0.000211 | 0.596700 | -5.593292 | 0.132435 |
| H2O | -17.256113 | 0.000011 | 0.358639 | 0.000011 | 0.371900 | -8.321241 | 0.006951 |
| H2O2 | -33.206043 | 0.000566 | 0.410928 | 0.000566 | 0.429400 | -11.591315 | 0.355078 |
| H2S | -11.416822 | 0.000036 | 0.288308 | 0.000036 | 0.292000 | -2.316961 | 0.022567 |
| H3COH | -24.126733 | 0.000210 | 0.797264 | 0.000210 | 0.818700 | -13.451386 | 0.131821 |
| H3CSH | -18.303106 | 0.000888 | 0.742596 | 0.000888 | 0.757000 | -9.038560 | 0.557191 |
| HCN | -16.220238 | 0.000114 | 0.489715 | 0.000114 | 0.496900 | -4.508747 | 0.071423 |
| HCO | -22.265628 | 0.000503 | 0.435907 | 0.000503 | 0.444700 | -5.517539 | 0.315588 |
| HCl | -15.636332 | 0.000018 | 0.168747 | 0.000019 | 0.171000 | -1.413491 | 0.011743 |
| HF | -24.902433 | 0.000009 | 0.216362 | 0.000010 | 0.226100 | -6.110912 | 0.006124 |
| HOCl | -31.621625 | 0.000224 | 0.256399 | 0.000224 | 0.264700 | -5.208797 | 0.140532 |
| Li2 | -0.431443 | 0.000004 | 0.038829 | 0.000004 | 0.038900 | -0.044823 | 0.002472 |
| LiF | -24.599582 | 0.000001 | 0.217120 | 0.000003 | 0.222000 | -3.062355 | 0.001982 |
| LiH | -0.787778 | 0.000003 | 0.091555 | 0.000003 | 0.092430 | -0.549078 | 0.002108 |
| N2 | -19.952215 | 0.000053 | 0.355328 | 0.000053 | 0.364600 | -5.818524 | 0.033494 |
| N2H4 | -22.265086 | 0.002365 | 0.668535 | 0.002365 | 0.699600 | -19.493818 | 1.484256 |
| NH | -10.426353 | 0.000005 | 0.127994 | 0.000005 | 0.133500 | -3.455183 | 0.003041 |
| NH2 | -11.080314 | 0.000014 | 0.282038 | 0.000014 | 0.290400 | -5.247264 | 0.008675 |
| NH3 | -11.759748 | 0.000007 | 0.461556 | 0.000007 | 0.475500 | -8.749893 | 0.004378 |
| NO | -25.932141 | 0.000214 | 0.236056 | 0.000214 | 0.244500 | -5.298782 | 0.134282 |
| Na2 | -0.390671 | 0.000016 | 0.026711 | 0.000016 | 0.026800 | -0.055830 | 0.010216 |
| NaCl | -15.303431 | 0.000049 | 0.153783 | 0.000049 | 0.157400 | -2.269973 | 0.030858 |
| O2 | -31.982234 | 0.000316 | 0.186951 | 0.000316 | 0.192400 | -3.419459 | 0.198515 |
| OH | -16.562097 | 0.000014 | 0.164539 | 0.000014 | 0.170200 | -3.552177 | 0.008780 |
| P2 | -13.130791 | 0.000179 | 0.178662 | 0.000179 | 0.186000 | -4.604850 | 0.112434 |
| PH2 | -7.718213 | 0.000026 | 0.242316 | 0.000026 | 0.244000 | -1.056595 | 0.016381 |
| PH3 | -8.356876 | 0.000003 | 0.381064 | 0.000003 | 0.389000 | -4.980126 | 0.001736 |
| S2 | -20.417704 | 0.000461 | 0.160340 | 0.000461 | 0.164000 | -2.296869 | 0.289383 |
| SO | -26.223097 | 0.000334 | 0.196773 | 0.000334 | 0.200700 | -2.464276 | 0.209887 |
| SO2 | -42.324964 | 0.005165 | 0.400998 | 0.005165 | 0.414400 | -8.409757 | 3.241071 |
| Si2 | -7.650009 | 0.000173 | 0.116131 | 0.000173 | 0.121000 | -3.055403 | 0.108497 |
| Si2H6 | -11.392075 | 0.006207 | 0.858701 | 0.006207 | 0.849000 | 6.087500 | 3.894679 |
| SiH2_1A1 | -5.011004 | 0.000002 | 0.244233 | 0.000003 | 0.243000 | 0.773601 | 0.001672 |
| SiH2_3B1 | -4.978375 | 0.000002 | 0.211604 | 0.000003 | 0.210000 | 1.006802 | 0.001850 |
| SiH3 | -5.629378 | 0.000037 | 0.362691 | 0.000037 | 0.363000 | -0.194032 | 0.022952 |
| SiH4 | -6.283377 | 0.000026 | 0.516774 | 0.000026 | 0.515000 | 1.113385 | 0.016341 |
| SiO | -19.966280 | 0.000114 | 0.301700 | 0.000114 | 0.306700 | -3.137770 | 0.071685 |
|---------+------------+----------+----------+----------+-----------+------------+----------|
| | 4.51 | 0.78 | -4.18 | 4.19 | 0.20 | | |
#+TBLFM: @>$2='(org-sbe "madformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$3='(org-sbe "maderrformula" (data @5$8..@>>$8) );%0.2f
#+TBLFM: @>$4='(org-sbe "mudformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$5='(org-sbe "sdformula" (data @5$7..@>>$7) );%0.2f
#+TBLFM: @>$6='(org-sbe "sderrformula" (data @5$7..@>>$7) (data_err @5$8..@>>$8) );%0.2f
** Python code to export Data in csv format
#+begin_src python :results output :session :exports code
for basis in ['dz', 'tz', 'qz']:
for method in ['ccsdt','pbe','pbe0','blyp','b3lyp']:
name = basis+'-'+method
print(":var "+name.replace('-','_').replace('.','')+"="+name)
for method in ['cipsi', 'dmc']:
for mu in ['0.00', '0.25', '0.50']:
name = basis+'-'+method+'-'+mu
print(":var "+name.replace('-','_').replace('.','')+"="+name)
if basis == 'dz':
for method in ['cipsi', 'dmc']:
for mu in ['1.00', '2.00', '5.00', 'inf']:
name = basis+'-'+method+'-'+mu
print(":var "+name.replace('-','_').replace('.','')+"="+name)
elif basis == 'tz':
for method in ['cipsi', 'dmc']:
for mu in ['1.00']:
name = basis+'-'+method+'-'+mu
print(":var "+name.replace('-','_').replace('.','')+"="+name)
#+end_src
#+RESULTS:
#+begin_example
:var dz_ccsdt=dz-ccsdt
:var dz_pbe=dz-pbe
:var dz_pbe0=dz-pbe0
:var dz_blyp=dz-blyp
:var dz_b3lyp=dz-b3lyp
:var dz_cipsi_000=dz-cipsi-0.00
:var dz_cipsi_025=dz-cipsi-0.25
:var dz_cipsi_050=dz-cipsi-0.50
:var dz_dmc_000=dz-dmc-0.00
:var dz_dmc_025=dz-dmc-0.25
:var dz_dmc_050=dz-dmc-0.50
:var dz_cipsi_100=dz-cipsi-1.00
:var dz_cipsi_200=dz-cipsi-2.00
:var dz_cipsi_500=dz-cipsi-5.00
:var dz_cipsi_inf=dz-cipsi-inf
:var dz_dmc_100=dz-dmc-1.00
:var dz_dmc_200=dz-dmc-2.00
:var dz_dmc_500=dz-dmc-5.00
:var dz_dmc_inf=dz-dmc-inf
:var tz_ccsdt=tz-ccsdt
:var tz_pbe=tz-pbe
:var tz_pbe0=tz-pbe0
:var tz_blyp=tz-blyp
:var tz_b3lyp=tz-b3lyp
:var tz_cipsi_000=tz-cipsi-0.00
:var tz_cipsi_025=tz-cipsi-0.25
:var tz_cipsi_050=tz-cipsi-0.50
:var tz_dmc_000=tz-dmc-0.00
:var tz_dmc_025=tz-dmc-0.25
:var tz_dmc_050=tz-dmc-0.50
:var tz_cipsi_100=tz-cipsi-1.00
:var tz_dmc_100=tz-dmc-1.00
:var qz_ccsdt=qz-ccsdt
:var qz_pbe=qz-pbe
:var qz_pbe0=qz-pbe0
:var qz_blyp=qz-blyp
:var qz_b3lyp=qz-b3lyp
:var qz_cipsi_000=qz-cipsi-0.00
:var qz_cipsi_025=qz-cipsi-0.25
:var qz_cipsi_050=qz-cipsi-0.50
:var qz_dmc_000=qz-dmc-0.00
:var qz_dmc_025=qz-dmc-0.25
:var qz_dmc_050=qz-dmc-0.50
#+end_example
#+begin_src python :results output :session :exports both :file rsdft.csv :var dz_ccsdt=dz-ccsdt :var dz_pbe=dz-pbe :var dz_pbe0=dz-pbe0 :var dz_blyp=dz-blyp :var dz_b3lyp=dz-b3lyp :var dz_cipsi_000=dz-cipsi-0.00 :var dz_cipsi_025=dz-cipsi-0.25 :var dz_cipsi_050=dz-cipsi-0.50 :var dz_dmc_000=dz-dmc-0.00 :var dz_dmc_025=dz-dmc-0.25 :var dz_dmc_050=dz-dmc-0.50 :var dz_cipsi_100=dz-cipsi-1.00 :var dz_cipsi_200=dz-cipsi-2.00 :var dz_cipsi_500=dz-cipsi-5.00 :var dz_cipsi_inf=dz-cipsi-inf :var tz_cipsi_inf=tz-cipsi-inf :var qz_cipsi_inf=qz-cipsi-inf :var dz_dmc_100=dz-dmc-1.00 :var dz_dmc_200=dz-dmc-2.00 :var dz_dmc_500=dz-dmc-5.00 :var dz_dmc_inf=dz-dmc-inf :var dz_dmc_opt=dz-dmc-opt :var tz_ccsdt=tz-ccsdt :var tz_pbe=tz-pbe :var tz_pbe0=tz-pbe0 :var tz_blyp=tz-blyp :var tz_b3lyp=tz-b3lyp :var tz_cipsi_000=tz-cipsi-0.00 :var tz_cipsi_025=tz-cipsi-0.25 :var tz_cipsi_050=tz-cipsi-0.50 :var tz_dmc_000=tz-dmc-0.00 :var tz_dmc_025=tz-dmc-0.25 :var tz_dmc_050=tz-dmc-0.50 :var tz_cipsi_100=tz-cipsi-1.00 :var tz_dmc_100=tz-dmc-1.00 :var qz_ccsdt=qz-ccsdt :var qz_pbe=qz-pbe :var qz_pbe0=qz-pbe0 :var qz_blyp=qz-blyp :var qz_b3lyp=qz-b3lyp :var qz_cipsi_000=qz-cipsi-0.00 :var qz_cipsi_025=qz-cipsi-0.25 :var qz_cipsi_050=qz-cipsi-0.50 :var qz_dmc_000=qz-dmc-0.00 :var qz_dmc_025=qz-dmc-0.25 :var qz_dmc_050=qz-dmc-0.50
print("Basis,Method,Mu,Molecule,TotalEnergy,TotalEnergyErr,AtomizationEnergy,AtomizationEnergyErr,Ndet")
def print_data(x,basis,method,mu):
ndet = ","
if mu is None:
mu = ""
if len(x[0]) == 5:
for line in x[2:]:
if line[0] != "":
if mu == "opt":
ndet = ""
elif mu is not "":
ndet = line[-1]
line = [ line[0], line[1], "", line[2], ""]
line = ",".join([str(x) for x in line[:5]])
print (f"{basis},{method},{mu},{line},{ndet}")
else:
for line in x[2:]:
if line[0] != "":
if mu == "opt":
ndet = ""
elif mu is not "":
ndet = line[-1]
line = ",".join([str(x) for x in line[:5]])
print (f"{basis},{method},{mu},{line},{ndet}")
data = [ (dz_ccsdt,"VDZ-BFD","CCSD(T)",None),
(dz_pbe,"VDZ-BFD","PBE",None),
(dz_pbe0,"VDZ-BFD","PBE0",None),
(dz_blyp,"VDZ-BFD","BLYP",None),
(dz_b3lyp,"VDZ-BFD","B3LYP",None),
(dz_cipsi_000,"VDZ-BFD","CIPSI","0.00"),
(dz_cipsi_025,"VDZ-BFD","CIPSI","0.25"),
(dz_cipsi_050,"VDZ-BFD","CIPSI","0.50"),
(dz_cipsi_100,"VDZ-BFD","CIPSI","1.00"),
(dz_cipsi_200,"VDZ-BFD","CIPSI","2.00"),
(dz_cipsi_500,"VDZ-BFD","CIPSI","5.00"),
(dz_cipsi_inf,"VDZ-BFD","CIPSI","inf"),
(tz_cipsi_inf,"VTZ-BFD","CIPSI","inf"),
(qz_cipsi_inf,"VQZ-BFD","CIPSI","inf"),
(dz_dmc_000,"VDZ-BFD","DMC","0.00"),
(dz_dmc_025,"VDZ-BFD","DMC","0.25"),
(dz_dmc_050,"VDZ-BFD","DMC","0.50"),
(dz_dmc_100,"VDZ-BFD","DMC","1.00"),
(dz_dmc_200,"VDZ-BFD","DMC","2.00"),
(dz_dmc_500,"VDZ-BFD","DMC","5.00"),
(dz_dmc_inf,"VDZ-BFD","DMC","inf"),
(dz_dmc_opt,"VDZ-BFD","DMC","opt"),
(tz_ccsdt,"VTZ-BFD","CCSD(T)",None),
(tz_pbe,"VTZ-BFD","PBE",None),
(tz_pbe0,"VTZ-BFD","PBE0",None),
(tz_blyp,"VTZ-BFD","BLYP",None),
(tz_b3lyp,"VTZ-BFD","B3LYP",None),
(tz_cipsi_000,"VTZ-BFD","CIPSI","0.00"),
(tz_cipsi_025,"VTZ-BFD","CIPSI","0.25"),
(tz_cipsi_050,"VTZ-BFD","CIPSI","0.50"),
(tz_dmc_000,"VTZ-BFD","DMC","0.00"),
(tz_dmc_025,"VTZ-BFD","DMC","0.25"),
(tz_dmc_050,"VTZ-BFD","DMC","0.50"),
(tz_cipsi_100,"VTZ-BFD","CIPSI","1.00"),
(tz_dmc_100,"VTZ-BFD","DMC","1.00"),
(qz_ccsdt,"VQZ-BFD","CCSD(T)",None),
(qz_pbe,"VQZ-BFD","PBE",None),
(qz_pbe0,"VQZ-BFD","PBE0",None),
(qz_blyp,"VQZ-BFD","BLYP",None),
(qz_b3lyp,"VQZ-BFD","B3LYP",None),
(qz_cipsi_000,"VQZ-BFD","CIPSI","0.00"),
(qz_cipsi_025,"VQZ-BFD","CIPSI","0.25"),
(qz_cipsi_050,"VQZ-BFD","CIPSI","0.50"),
(qz_dmc_000,"VQZ-BFD","DMC","0.00"),
(qz_dmc_025,"VQZ-BFD","DMC","0.25"),
(qz_dmc_050,"VQZ-BFD","DMC","0.50"),
]
# Extract reference data from a random data table
ref = [ [ x[0], " ", " ", x[5] ] for x in qz_dmc_000 if x[5] != ""]
print_data(ref, "", "Reference", "")
for name, basis, method, mu in data:
print_data(name, basis, method, mu)
#+end_src
#+RESULTS:
[[file:rsdft.csv]]
* Data for plots
** Initialize R packages
#+begin_src R :results output :session *R* :exports code
to_kcal <- 627.502164882
library(ggplot2)
library(latex2exp)
library(extrafont)
library(RColorBrewer)
loadfonts()
#+end_src
** Read csv
#+begin_src R :results output :session *R* :exports both
mad = function(x) { mean(abs(x)) }
raw_data <- read.csv("rsdft.csv")
ref <- subset(raw_data, Method == "Reference")[c("Molecule","AtomizationEnergy")]
tmp <- subset(raw_data, (Method == "DMC" & Basis == "VTZ-BFD" & AtomizationEnergy != 0.))[c("Molecule","AtomizationEnergy")]
get_ref = function(name) {
l <- subset(ref,(Molecule == name))$"AtomizationEnergy"
ifelse( length(l) == 0, 0.,l[1])
}
raw_data$ref <- sapply(raw_data$"Molecule", get_ref)
raw_data$ae.diff <- (raw_data$"AtomizationEnergy" - raw_data$ref) * to_kcal
summary(raw_data)
#+end_src
#+RESULTS:
#+begin_example
Basis Method Mu Molecule TotalEnergy
: 55 CIPSI :1071 :1060 BeH : 47 Min. :-48.5039
VDZ-BFD:1340 DMC :1005 0.00 : 402 C2H2 : 47 1st Qu.:-22.4809
VQZ-BFD: 804 B3LYP : 201 0.25 : 402 C2H4 : 47 Median :-14.9413
VTZ-BFD: 937 BLYP : 201 0.50 : 402 C2H6 : 47 Mean :-15.5174
CCSD(T): 201 1.00 : 268 CH : 47 3rd Qu.: -6.7063
PBE : 201 inf : 267 CH2_1A1: 47 Max. : -0.1742
(Other): 256 (Other): 335 (Other):2854 NA's :55
TotalEnergyErr AtomizationEnergy AtomizationEnergyErr Ndet
Min. :0.0000 Min. :0.0000 Min. :-75.1781 Min. : 0
1st Qu.:0.0002 1st Qu.:0.1387 1st Qu.: -2.3366 1st Qu.: 23
Median :0.0007 Median :0.2681 Median : 0.0002 Median : 394
Mean :0.1276 Mean :0.3251 Mean : -2.7038 Mean : 1174918
3rd Qu.:0.2046 3rd Qu.:0.4619 3rd Qu.: 0.0006 3rd Qu.: 41778
Max. :1.1423 Max. :1.1520 Max. : 21.7947 Max. :19555662
NA's :1216 NA's :381 NA's :1252 NA's :1163
ref ae.diff
Min. :0.00000 Min. :-70.6994
1st Qu.:0.09243 1st Qu.: -5.9057
Median :0.24300 Median : -0.3853
Mean :0.29081 Mean : -3.7199
3rd Qu.:0.42940 3rd Qu.: 0.0000
Max. :1.13690 Max. : 12.6322
NA's :381
#+end_example
** Figure 2 (H_{2}O)
#+NAME:tab1
| $\mu$ | | N_{det} | E(DMC,srPBE,DZ) | Error | N_{det} | E(DMC,srPBE,TZ) | Error | E(DMC,srLDA,DZ) | Error |
|------+--------------+--------+-----------------+--------------+---------+-----------------+--------------+-----------------+--------------|
| 0.00 | 0.0000000000 | 11 | -17.2535927658 | 0.0000616883 | 23 | -17.2567442368 | 0.0000674814 | -17.253051 | 0.0001360408 |
| 0.20 | 0.1666666700 | 23 | -17.2537299553 | 0.0000673868 | 23 | -17.2567293499 | 0.0000806448 | -17.253258 | 0.0002422793 |
| 0.50 | 0.3333333300 | 1442 | -17.2539120512 | 0.0001475010 | 1699 | -17.2577489156 | 0.0001590032 | -17.253631 | 0.0003054387 |
| 0.75 | 0.4285714300 | 3213 | -17.2551351593 | 0.0001757492 | 13362 | -17.2583975528 | 0.0002828675 | -17.254931 | 0.0003102050 |
| 1.00 | 0.5000000000 | 6743 | -17.2566320269 | 0.0001881680 | 25673 | -17.2609826285 | 0.0002158278 | -17.256066 | 0.0002854243 |
| 1.75 | 0.6363636400 | 54540 | -17.2595366309 | 0.0003193539 | 207475 | -17.2635480054 | 0.0001864936 | -17.259109 | 0.0003141832 |
| 2.50 | 0.7142857100 | 51691 | -17.2593693798 | 0.0002564347 | 858123 | -17.2643468817 | 0.0003484087 | -17.259352 | 0.0003585575 |
| 3.80 | 0.7916666700 | 103059 | -17.2586706893 | 0.0002222800 | 1621513 | -17.2636697373 | 0.0002950991 | -17.258380 | 0.0003634440 |
| 5.70 | 0.8507462700 | 102599 | -17.2577349871 | 0.0002927319 | 1629655 | -17.2631675892 | 0.0003358884 | -17.257471 | 0.0003785489 |
| 8.50 | 0.8947368400 | 101803 | -17.2572986405 | 0.0002283964 | 1643301 | -17.2632963114 | 0.0003799317 | -17.256792 | 0.0003731954 |
| inf | 1.0000000000 | 255971 | -17.257373 | 0.0003928008 | 1631982 | -17.2638832283 | 0.0002702253 | -17.257373 | 0.0003928008 |
#+TBLFM: $2=$1/($1+1) ;%15.10f
#+begin_src R :var data=tab1 :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R*
vdz = data["X"]
vdz$"E" = data$"E.DMC.srPBE.DZ."
vdz$"E.lo" = data$"E.DMC.srPBE.DZ." - data$"Error"
vdz$"E.hi" = data$"E.DMC.srPBE.DZ." + data$"Error"
vdz$Basis = "VDZ-BFD, srPBE"
vdz.spline_int <- as.data.frame(spline(vdz$X, vdz$E, n=101, method="natural"))
vdz.spline_int$"E.hi" <- as.data.frame(spline(vdz$X, vdz$E.hi, n=101, method="natural"))$y
vdz.spline_int$"E.lo" <- as.data.frame(spline(vdz$X, vdz$E.lo, n=101, method="natural"))$y
vdz.spline_int$X <- vdz.spline_int$x
vdz.spline_int$E <- vdz.spline_int$y
vdz.spline_int$Basis <- "VDZ-BFD, srPBE"
vtz = data["X"]
vtz$"E" = data$"E.DMC.srPBE.TZ."
vtz$"E.lo" = data$"E.DMC.srPBE.TZ." - data$"Error.1"
vtz$"E.hi" = data$"E.DMC.srPBE.TZ." + data$"Error.1"
vtz$Basis = "VTZ-BFD, srPBE"
vtz.spline_int <- as.data.frame(spline(vtz$X, vtz$E, n=101, method="natural"))
vtz.spline_int$"E.hi" <- as.data.frame(spline(vtz$X, vtz$E.hi, n=101, method="natural"))$y
vtz.spline_int$"E.lo" <- as.data.frame(spline(vtz$X, vtz$E.lo, n=101, method="natural"))$y
vtz.spline_int$X <- vtz.spline_int$x
vtz.spline_int$E <- vtz.spline_int$y
vtz.spline_int$Basis <- "VTZ-BFD, srPBE"
lda = data["X"]
lda$"E" = data$"E.DMC.srLDA.DZ."
lda$"E.lo" = data$"E.DMC.srLDA.DZ." - data$"Error.2"
lda$"E.hi" = data$"E.DMC.srLDA.DZ." + data$"Error.2"
lda$Basis = "VDZ-BFD, srLDA"
lda.spline_int <- as.data.frame(spline(lda$X, lda$E, n=101, method="natural"))
lda.spline_int$E.hi <- as.data.frame(spline(lda$X, lda$E.hi, n=101, method="natural"))$y
lda.spline_int$E.lo <- as.data.frame(spline(lda$X, lda$E.lo, n=101, method="natural"))$y
lda.spline_int$X <- lda.spline_int$x
lda.spline_int$E <- lda.spline_int$y
lda.spline_int$Basis <- "VDZ-BFD, srLDA"
d = rbind(lda,vdz,vtz)
ds = rbind(lda.spline_int,vdz.spline_int,vtz.spline_int)
breaks <- data$"X"
labels <- data$"X..mu"
labels[9] <- ""
labels[11] <- TeX("$\\infty$")
p <- ggplot(ds, aes(x=X, y=E, ymin=E.lo, ymax=E.hi, fill=Basis ))
p <- p + geom_errorbar(data=d, width=0.01)
p <- p + geom_ribbon(alpha=0.5)
p <- p + geom_point(data=d)
p <- p + scale_x_continuous(name=TeX("$\\mu$ (bohr$^{-1}$)"), breaks=breaks,
labels=labels)
p <- p + scale_y_continuous(name = "Energy (a.u.)", breaks=seq(-17.266,-17.252,0.002))
p <- p + theme(text = element_text(size = 20, family="Times"),
legend.position = c(.20, .20),
legend.title = element_blank())
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figureEQsn6c.png]]
Export to pdf
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/h2o-dmc.pdf", family="Times", width=8, height=5)
p
dev.off()
#+end_src
** Comparision with Jastrow optimized wf
Parameters of the Jastrow:
J_{ee} = a r_{12} / (1 + b r_{12})
J_{eN} = -(p r_{12} / (1 + p r_{12}))^2
a = 1/2 b = 0.886226925453
p_H = 0.3467 p_O = 1.1485 (energy minimization)
*** Overlap
CI coefficients of the 200-determinant expansions
#+NAME:tab-ci-200dets
| FCI | 0.00 | 0.25 | 0.50 | 1.00 | 2.00 | 5.00 | Inf | Jastrow |
|---------------+---------------+---------------+---------------+---------------+---------------+---------------+---------------+---------------|
| 0.9696956700 | -0.9997336600 | 0.9998031900 | 0.9984664800 | 0.9914235700 | -0.9831763300 | -0.9783648000 | -0.9770840000 | -0.9878344200 |
| 0.0131088750 | -0.0104485750 | 0.0070260559 | 0.0004817641 | 0.0019779660 | -0.0115995420 | -0.0174175700 | -0.0187187070 | 0.0398512070 |
| -0.0129943100 | 0.0111881590 | -0.0068262064 | -0.0000394860 | -0.0046036045 | 0.0116028510 | 0.0119470510 | 0.0112815560 | 0.0372688900 |
| 0.0097297140 | 0.0000339445 | -0.0005245515 | 0.0016210894 | 0.0090557640 | -0.0120366790 | -0.0109443760 | -0.0102413440 | -0.0091484011 |
| -0.0254994160 | -0.0000006626 | -0.0032587193 | -0.0127981620 | -0.0238732150 | 0.0267668720 | 0.0261897040 | 0.0258111060 | 0.0147899720 |
| 0.0077611389 | 0.0000000406 | 0.0003214057 | 0.0022134924 | 0.0063742450 | -0.0083201722 | -0.0083394510 | -0.0082311879 | -0.0044840954 |
| -0.0079111160 | 0.0040613901 | -0.0038040769 | 0.0002320056 | 0.0016722454 | 0.0041570168 | 0.0096772223 | 0.0114260690 | -0.0219100780 |
| -0.0223548470 | -0.0000090100 | -0.0013765370 | -0.0076801127 | -0.0189303980 | 0.0233808680 | 0.0226940250 | 0.0220416050 | 0.0106547060 |
| 0.0213136320 | 0.0000356799 | 0.0012131334 | 0.0070885260 | 0.0179282130 | -0.0226020980 | -0.0221496320 | -0.0215548080 | -0.0086779165 |
| -0.0104339270 | -0.0000038138 | -0.0006807206 | -0.0035428056 | -0.0085502136 | 0.0109192110 | 0.0109263130 | 0.0107129480 | 0.0064677229 |
| 0.0109230960 | 0.0000000000 | 0.0015499073 | 0.0057504552 | 0.0104276720 | -0.0118172680 | -0.0117965410 | -0.0117264590 | -0.0045108470 |
| -0.0119622960 | 0.0000000000 | -0.0015459711 | -0.0058204745 | -0.0104528470 | 0.0115216530 | 0.0112997350 | 0.0111777720 | 0.0026670943 |
| -0.0111596570 | 0.0000000000 | -0.0012316016 | -0.0050633862 | -0.0102771320 | 0.0122860920 | 0.0124595870 | 0.0124186150 | 0.0018831607 |
| 0.0137387350 | 0.0000251558 | 0.0005415473 | 0.0046854391 | 0.0121062750 | -0.0143658980 | -0.0136763660 | -0.0132405640 | -0.0058756677 |
| 0.0083759715 | -0.0000185925 | -0.0001365899 | 0.0017069796 | 0.0068862381 | -0.0087851213 | -0.0085759137 | -0.0084136057 | -0.0042407386 |
| -0.0081947558 | -0.0000069765 | -0.0001145039 | -0.0020985588 | -0.0065902515 | 0.0086029144 | 0.0083795497 | 0.0080700138 | 0.0048399823 |
| -0.0117638590 | 0.0000000000 | -0.0009024194 | -0.0042495720 | -0.0100089360 | 0.0128380990 | 0.0132072720 | 0.0131690760 | 0.0011902938 |
| -0.0076776687 | 0.0017011743 | -0.0016813000 | 0.0001136615 | 0.0000622386 | 0.0037459558 | 0.0070086206 | 0.0079840803 | 0.0212136600 |
| 0.0129551940 | 0.0000027185 | 0.0005109683 | 0.0036491463 | 0.0102477800 | -0.0133380800 | -0.0133997380 | -0.0131799220 | -0.0050997904 |
| 0.0125227400 | 0.0000000592 | 0.0008821953 | 0.0042773265 | 0.0105673040 | -0.0138436970 | -0.0142154240 | -0.0141347710 | -0.0011826212 |
| -0.0076088400 | 0.0035376869 | -0.0018563473 | 0.0000155743 | -0.0033218461 | 0.0076172530 | 0.0073085482 | 0.0065101256 | 0.0156023180 |
| -0.0120492340 | 0.0000360403 | -0.0000787649 | -0.0029706863 | -0.0104531720 | 0.0128838660 | 0.0120464170 | 0.0116143990 | 0.0058930688 |
| 0.0079220660 | 0.0000000466 | -0.0001016580 | 0.0009879190 | 0.0051165677 | -0.0077014717 | -0.0077254062 | -0.0074513632 | -0.0032418786 |
| 0.0082544466 | -0.0000132946 | -0.0000449781 | 0.0014179278 | 0.0061506504 | -0.0080632451 | -0.0075895206 | -0.0072983152 | -0.0031118075 |
| 0.0111405520 | -0.0000003193 | 0.0005754100 | 0.0036411865 | 0.0092210298 | -0.0115765220 | -0.0116712350 | -0.0115360660 | -0.0037457901 |
| 0.0117190730 | 0.0000003353 | 0.0004323456 | 0.0028720921 | 0.0086359542 | -0.0119244700 | -0.0121174430 | -0.0118977840 | -0.0044380689 |
| -0.0581721140 | -0.0000000000 | -0.0030223848 | -0.0144524530 | -0.0335402100 | 0.0468243260 | 0.0543113180 | 0.0564330400 | 0.0475423170 |
| 0.0365598610 | 0.0000376878 | 0.0024413761 | 0.0112669730 | 0.0253941120 | -0.0335832750 | -0.0364833880 | -0.0370421130 | -0.0259103400 |
| 0.0124152150 | -0.0000277755 | 0.0000684194 | 0.0019266862 | 0.0067401254 | -0.0095471169 | -0.0107193280 | -0.0110299870 | -0.0080849649 |
| -0.0170552630 | -0.0000006654 | -0.0016868218 | -0.0071636783 | -0.0142921250 | 0.0168050050 | 0.0171606440 | 0.0171791790 | 0.0103494980 |
| -0.0297371990 | -0.0000091806 | -0.0014071461 | -0.0078369553 | -0.0196534030 | 0.0262425120 | 0.0283486260 | 0.0287409560 | 0.0172920090 |
| 0.0095509392 | 0.0000000000 | 0.0000661586 | 0.0021461674 | 0.0059745242 | -0.0078217911 | -0.0093394760 | -0.0099348757 | -0.0074253740 |
| -0.0075602450 | 0.0000008989 | 0.0007007328 | 0.0006117845 | -0.0031224527 | 0.0062150168 | 0.0075856418 | 0.0079224927 | 0.0042915093 |
| 0.0172241200 | -0.0000057428 | -0.0001727138 | 0.0012204568 | 0.0072063557 | -0.0129440700 | -0.0160448270 | -0.0168299900 | -0.0111830920 |
| -0.0130236780 | 0.0000000000 | 0.0004779651 | 0.0006951542 | -0.0032099078 | 0.0087409581 | 0.0123707650 | 0.0134212570 | 0.0089258694 |
| -0.0313916300 | 0.0000000000 | -0.0028116346 | -0.0099464446 | -0.0192089330 | 0.0264336790 | 0.0306994030 | 0.0318317110 | 0.0200951080 |
| 0.0081248938 | 0.0000000000 | 0.0003547425 | 0.0012232412 | 0.0031415547 | -0.0056774898 | -0.0073531691 | -0.0077941945 | -0.0060577699 |
| 0.0268316790 | 0.0000007403 | 0.0029896668 | 0.0099159537 | 0.0171692650 | -0.0225434880 | -0.0263614520 | -0.0275235310 | -0.0155400880 |
| 0.0084454973 | -0.0000000134 | 0.0015117693 | 0.0054901371 | 0.0095020822 | -0.0100663570 | -0.0093207879 | -0.0089887437 | -0.0011996966 |
| 0.0135757020 | 0.0000000000 | 0.0015636621 | 0.0058512692 | 0.0110925970 | -0.0136629980 | -0.0145818270 | -0.0147748070 | -0.0054792953 |
| -0.0081247446 | 0.0000000000 | -0.0003970913 | -0.0022800509 | -0.0059469392 | 0.0080516838 | 0.0084171623 | 0.0083742969 | 0.0043849956 |
| 0.0081249269 | 0.0000000000 | 0.0003547425 | 0.0012232412 | 0.0031415547 | -0.0056774898 | -0.0073531691 | -0.0077941945 | -0.0053426728 |
| -0.0185170430 | 0.0000000000 | -0.0001178982 | -0.0011305776 | -0.0059122099 | 0.0126141430 | 0.0167242370 | 0.0177457720 | 0.0134589640 |
| 0.0086659760 | -0.0000027055 | -0.0002973179 | -0.0002891440 | 0.0020010679 | -0.0051703216 | -0.0072036610 | -0.0077579162 | -0.0073630669 |
| -0.0081854286 | 0.0000000000 | -0.0001814365 | -0.0009322761 | -0.0031930222 | 0.0058484528 | 0.0072372416 | 0.0075463736 | 0.0049073066 |
| 0.0109651840 | -0.0000004242 | -0.0000377304 | 0.0000272968 | 0.0020895936 | -0.0067215647 | -0.0102736790 | -0.0112556060 | -0.0087530507 |
| 0.0092771898 | 0.0000000000 | 0.0000466619 | 0.0007235881 | 0.0037675397 | -0.0074453658 | -0.0094303219 | -0.0098964065 | -0.0049237178 |
| 0.0088916362 | 0.0000000000 | 0.0000048519 | 0.0004155815 | 0.0028953144 | -0.0063541033 | -0.0082804590 | -0.0087245038 | -0.0041887619 |
| 0.0268315720 | 0.0000007403 | 0.0029896668 | 0.0099159537 | 0.0171692650 | -0.0225434880 | -0.0263614520 | -0.0275235310 | -0.0180186050 |
| 0.0086659671 | -0.0000027055 | -0.0002973179 | -0.0002891440 | 0.0020010679 | -0.0051703216 | -0.0072036610 | -0.0077579162 | -0.0046037330 |
| -0.0309199650 | 0.0000000000 | -0.0030940023 | -0.0100937800 | -0.0184157330 | 0.0246775440 | 0.0279005360 | 0.0286620270 | 0.0199112330 |
| -0.0106823170 | 0.0000000000 | -0.0015766088 | -0.0052889146 | -0.0086968479 | 0.0096849905 | 0.0095935732 | 0.0094742418 | 0.0038167394 |
| 0.0131091670 | -0.0104485750 | 0.0070260559 | 0.0004817641 | 0.0019779660 | -0.0115995420 | -0.0174175700 | -0.0187187070 | 0.0408027720 |
| 0.0365597380 | 0.0000376878 | 0.0024413761 | 0.0112669730 | 0.0253941120 | -0.0335832750 | -0.0364833880 | -0.0370421130 | -0.0249152920 |
| -0.0455943430 | -0.0001241692 | -0.0020748606 | -0.0091382522 | -0.0215574530 | 0.0322977050 | 0.0388208130 | 0.0406601060 | 0.0265426540 |
| -0.0207956680 | 0.0001273155 | -0.0001672871 | -0.0025912749 | -0.0100824730 | 0.0170889780 | 0.0211256060 | 0.0221781890 | 0.0127882320 |
| 0.0134438050 | 0.0000114474 | 0.0012848463 | 0.0051596398 | 0.0094133019 | -0.0112372190 | -0.0126061230 | -0.0131099510 | -0.0081007663 |
| 0.0222014280 | 0.0000423165 | 0.0010640785 | 0.0061903694 | 0.0154642970 | -0.0201019980 | -0.0210632800 | -0.0211358600 | -0.0112375740 |
| -0.0123194850 | -0.0000263752 | -0.0001946631 | -0.0031280368 | -0.0093558989 | 0.0122618790 | 0.0129448400 | 0.0130491110 | 0.0072894044 |
| -0.0092493752 | 0.0000429476 | -0.0001321985 | -0.0012342514 | -0.0045204007 | 0.0080014583 | 0.0102007380 | 0.0107776200 | 0.0066600218 |
| 0.0130729070 | 0.0000164408 | -0.0003607990 | 0.0005327132 | 0.0059529657 | -0.0110053050 | -0.0131962420 | -0.0136643030 | -0.0108776300 |
| 0.0097825841 | -0.0000015647 | -0.0005273231 | 0.0005065421 | 0.0052504831 | -0.0083376382 | -0.0103055950 | -0.0110127090 | -0.0070627663 |
| -0.0084937301 | 0.0000367549 | 0.0000702344 | -0.0016453396 | -0.0066597392 | 0.0090662684 | 0.0095463526 | 0.0096164176 | 0.0044462963 |
| 0.0081980547 | -0.0000081689 | -0.0003557630 | -0.0004892060 | 0.0028516562 | -0.0069620167 | -0.0087716732 | -0.0091314036 | -0.0057890090 |
| -0.0083611258 | 0.0000290871 | 0.0003099034 | 0.0004049646 | -0.0020977716 | 0.0059296231 | 0.0087316760 | 0.0095884117 | 0.0058724325 |
| -0.0225645630 | 0.0000000000 | -0.0000605576 | -0.0011866152 | -0.0070509207 | 0.0156610350 | 0.0217657350 | 0.0234834940 | 0.0175086510 |
| 0.0089838702 | -0.0000035374 | -0.0000142181 | 0.0001720591 | 0.0022652965 | -0.0060143657 | -0.0085941817 | -0.0092877353 | -0.0059718979 |
| 0.0081700403 | 0.0000013199 | 0.0000842603 | 0.0010620854 | 0.0042107474 | -0.0073777517 | -0.0094734913 | -0.0101278650 | -0.0045649575 |
| 0.0090037837 | -0.0000015709 | -0.0000340427 | -0.0001200185 | 0.0012474348 | -0.0052149318 | -0.0084887775 | -0.0093972731 | -0.0060887547 |
| -0.0081867444 | 0.0000000000 | 0.0000510546 | 0.0000530654 | -0.0022800060 | 0.0065245309 | 0.0088608018 | 0.0093369425 | 0.0056054419 |
| -0.0129942230 | 0.0111881590 | -0.0068262064 | -0.0000394860 | -0.0046036045 | 0.0116028510 | 0.0119470510 | 0.0112815560 | 0.0338131540 |
| 0.0124155100 | -0.0000277755 | 0.0000684194 | 0.0019266862 | 0.0067401254 | -0.0095471169 | -0.0107193280 | -0.0110299870 | -0.0086113069 |
| -0.0207958700 | 0.0001273155 | -0.0001672871 | -0.0025912749 | -0.0100824730 | 0.0170889780 | 0.0211256060 | 0.0221781890 | 0.0136893380 |
| -0.0150531650 | -0.0001256963 | -0.0000640204 | -0.0012724755 | -0.0057292398 | 0.0109584620 | 0.0142278330 | 0.0150722390 | 0.0092925859 |
| 0.0117807240 | -0.0000419016 | 0.0001316693 | 0.0015589677 | 0.0055001592 | -0.0085550625 | -0.0104236780 | -0.0109655220 | -0.0069183441 |
| -0.0122518160 | 0.0000213693 | -0.0002222127 | -0.0024775707 | -0.0077375981 | 0.0111126880 | 0.0126074250 | 0.0129720450 | 0.0065229768 |
| -0.0089155570 | 0.0000138793 | -0.0000529192 | -0.0007353435 | -0.0035411780 | 0.0073678534 | 0.0098491830 | 0.0104890320 | 0.0048487498 |
| 0.0151214500 | -0.0000174612 | 0.0001141490 | 0.0013043907 | 0.0059876355 | -0.0115210470 | -0.0147514380 | -0.0155529290 | -0.0105018040 |
| 0.0074726494 | 0.0000064959 | -0.0000123391 | 0.0002050494 | 0.0026338761 | -0.0058466815 | -0.0075382378 | -0.0079408522 | -0.0055567371 |
| 0.0097299620 | 0.0000339445 | -0.0005245515 | 0.0016210894 | 0.0090557640 | -0.0120366790 | -0.0109443760 | -0.0102413440 | -0.0075158328 |
| 0.0084455395 | -0.0000000134 | 0.0015117693 | 0.0054901371 | 0.0095020822 | -0.0100663570 | -0.0093207879 | -0.0089887437 | -0.0029105399 |
| -0.0106823900 | 0.0000000000 | -0.0015766088 | -0.0052889146 | -0.0086968479 | 0.0096849905 | 0.0095935732 | 0.0094742418 | 0.0046911216 |
| -0.0194497670 | 0.0000000000 | -0.0010006368 | -0.0043668269 | -0.0105792380 | 0.0158788580 | 0.0186408370 | 0.0193067710 | 0.0106902900 |
| -0.0103099800 | 0.0000000000 | -0.0010347765 | -0.0042204881 | -0.0086613252 | 0.0107639350 | 0.0113393260 | 0.0114369460 | 0.0031597121 |
| -0.0170552380 | -0.0000006654 | -0.0016868218 | -0.0071636783 | -0.0142921250 | 0.0168050050 | 0.0171606440 | 0.0171791790 | 0.0115233280 |
| 0.0134436790 | 0.0000114474 | 0.0012848463 | 0.0051596398 | 0.0094133019 | -0.0112372190 | -0.0126061230 | -0.0131099510 | -0.0098990745 |
| -0.0212286880 | -0.0000003582 | -0.0012051822 | -0.0052089829 | -0.0118513540 | 0.0170879640 | 0.0199563600 | 0.0206945990 | 0.0128825980 |
| -0.0160451260 | -0.0000035405 | -0.0008199168 | -0.0042323297 | -0.0104771550 | 0.0145260170 | 0.0160983650 | 0.0164176640 | 0.0095271628 |
| 0.0093318181 | -0.0000025219 | -0.0001136656 | 0.0005455604 | 0.0035797354 | -0.0065581182 | -0.0081031856 | -0.0084862667 | -0.0055358600 |
| -0.0085020704 | -0.0000000000 | -0.0000441350 | -0.0005912365 | -0.0030488953 | 0.0062289327 | 0.0081235211 | 0.0085952320 | 0.0049616947 |
| -0.0254993090 | -0.0000006626 | -0.0032587193 | -0.0127981620 | -0.0238732150 | 0.0267668720 | 0.0261897040 | 0.0258111060 | 0.0126717490 |
| 0.0077611131 | 0.0000000406 | 0.0003214057 | 0.0022134924 | 0.0063742450 | -0.0083201722 | -0.0083394510 | -0.0082311879 | -0.0040659836 |
| -0.0102639020 | 0.0000000000 | -0.0005016825 | -0.0022234770 | -0.0053742784 | 0.0085306726 | 0.0108697590 | 0.0115837840 | 0.0062165709 |
| 0.0095856747 | 0.0000000000 | 0.0005554333 | 0.0024219459 | 0.0056932082 | -0.0081203170 | -0.0092249550 | -0.0094711556 | -0.0038344169 |
| -0.0079111374 | 0.0040613901 | -0.0038040769 | 0.0002320056 | 0.0016722454 | 0.0041570168 | 0.0096772223 | 0.0114260690 | -0.0248846840 |
| -0.0297371590 | -0.0000091806 | -0.0014071461 | -0.0078369553 | -0.0196534030 | 0.0262425120 | 0.0283486260 | 0.0287409560 | 0.0174123780 |
| 0.0222015080 | 0.0000423165 | 0.0010640785 | 0.0061903694 | 0.0154642970 | -0.0201019980 | -0.0210632800 | -0.0211358600 | -0.0105392200 |
| 0.0117807260 | -0.0000419016 | 0.0001316693 | 0.0015589677 | 0.0055001592 | -0.0085550625 | -0.0104236780 | -0.0109655220 | -0.0051699688 |
| -0.0160450940 | -0.0000035405 | -0.0008199168 | -0.0042323297 | -0.0104771550 | 0.0145260170 | 0.0160983650 | 0.0164176640 | 0.0086432679 |
| -0.0398179040 | -0.0000164980 | -0.0007308382 | -0.0056650372 | -0.0178825600 | 0.0293162760 | 0.0371293670 | 0.0395550650 | 0.0244877720 |
| 0.0114340060 | 0.0000070654 | 0.0001701448 | 0.0024670844 | 0.0072995732 | -0.0097471378 | -0.0104623640 | -0.0105800720 | -0.0078753519 |
| -0.0165077170 | -0.0000069105 | 0.0001450061 | -0.0010134338 | -0.0058173129 | 0.0107619010 | 0.0143133550 | 0.0154763280 | 0.0123467590 |
| -0.0140700390 | 0.0000003462 | 0.0002014840 | -0.0009529776 | -0.0062424902 | 0.0110758030 | 0.0132984930 | 0.0137892160 | 0.0095515183 |
| 0.0187671470 | -0.0000142628 | 0.0000131235 | 0.0016310135 | 0.0079725379 | -0.0142885590 | -0.0176850540 | -0.0185314700 | -0.0102205690 |
| -0.0108182050 | 0.0000020481 | 0.0002038728 | 0.0000704230 | -0.0037489652 | 0.0082351245 | 0.0100648230 | 0.0103982620 | 0.0064090690 |
| 0.0077546463 | -0.0000080020 | -0.0001336194 | 0.0001388733 | 0.0032500250 | -0.0064590251 | -0.0075550715 | -0.0077117145 | -0.0040542181 |
| 0.0089839602 | -0.0000035374 | -0.0000142181 | 0.0001720591 | 0.0022652965 | -0.0060143657 | -0.0085941817 | -0.0092877353 | -0.0067122955 |
| -0.0109346890 | 0.0000000000 | -0.0000452689 | -0.0002706036 | -0.0020680349 | 0.0062206109 | 0.0094734833 | 0.0103455560 | 0.0084433392 |
| 0.0105134330 | -0.0000000908 | 0.0000364324 | 0.0000322069 | 0.0011363794 | -0.0049598314 | -0.0083705047 | -0.0093542124 | -0.0083010558 |
| -0.0223547310 | -0.0000090100 | -0.0013765370 | -0.0076801127 | -0.0189303980 | 0.0233808680 | 0.0226940250 | 0.0220416050 | 0.0107229560 |
| 0.0213136420 | 0.0000356799 | 0.0012131334 | 0.0070885260 | 0.0179282130 | -0.0226020980 | -0.0221496320 | -0.0215548080 | -0.0079645242 |
| -0.0104340630 | -0.0000038138 | -0.0006807206 | -0.0035428056 | -0.0085502136 | 0.0109192110 | 0.0109263130 | 0.0107129480 | 0.0061856294 |
| 0.0095855786 | 0.0000000000 | 0.0005554333 | 0.0024219459 | 0.0056932082 | -0.0081203170 | -0.0092249550 | -0.0094711556 | -0.0029779468 |
| -0.0168736150 | 0.0000000000 | -0.0008749003 | -0.0038207242 | -0.0094075461 | 0.0143543520 | 0.0169994950 | 0.0176357930 | 0.0069704404 |
| -0.0097855408 | 0.0000000000 | -0.0010467110 | -0.0043667030 | -0.0090137858 | 0.0109233300 | 0.0111771070 | 0.0111677640 | 0.0010197198 |
| -0.0082753244 | 0.0000000000 | -0.0005179499 | -0.0022572918 | -0.0053615425 | 0.0075842237 | 0.0084998522 | 0.0086911226 | 0.0012086501 |
| 0.0135755630 | 0.0000000000 | 0.0015636621 | 0.0058512692 | 0.0110925970 | -0.0136629980 | -0.0145818270 | -0.0147748070 | -0.0056765727 |
| -0.0081854192 | 0.0000000000 | -0.0001814365 | -0.0009322761 | -0.0031930222 | 0.0058484528 | 0.0072372416 | 0.0075463736 | 0.0049308458 |
| -0.0103099060 | 0.0000000000 | -0.0010347765 | -0.0042204881 | -0.0086613252 | 0.0107639350 | 0.0113393260 | 0.0114369460 | 0.0026855638 |
| -0.0149080240 | 0.0000000000 | -0.0010269590 | -0.0042795794 | -0.0097468303 | 0.0142031310 | 0.0165959490 | 0.0171844470 | 0.0063724438 |
| 0.0109231970 | 0.0000000000 | 0.0015499073 | 0.0057504552 | 0.0104276720 | -0.0118172680 | -0.0117965410 | -0.0117264590 | -0.0031631518 |
| -0.0119622730 | 0.0000000000 | -0.0015459711 | -0.0058204745 | -0.0104528470 | 0.0115216530 | 0.0112997350 | 0.0111777720 | 0.0028669783 |
| -0.0111595510 | 0.0000000000 | -0.0012316016 | -0.0050633862 | -0.0102771320 | 0.0122860920 | 0.0124595870 | 0.0124186150 | 0.0028764869 |
| 0.0095509520 | 0.0000000000 | 0.0000661586 | 0.0021461674 | 0.0059745242 | -0.0078217911 | -0.0093394760 | -0.0099348757 | -0.0074421773 |
| -0.0123195230 | -0.0000263752 | -0.0001946631 | -0.0031280368 | -0.0093558989 | 0.0122618790 | 0.0129448400 | 0.0130491110 | 0.0067902545 |
| -0.0122517210 | 0.0000213693 | -0.0002222127 | -0.0024775707 | -0.0077375981 | 0.0111126880 | 0.0126074250 | 0.0129720450 | 0.0059291444 |
| 0.0114339250 | 0.0000070654 | 0.0001701448 | 0.0024670844 | 0.0072995732 | -0.0097471378 | -0.0104623640 | -0.0105800720 | -0.0079459810 |
| -0.0253414360 | -0.0000000000 | -0.0006630649 | -0.0051028251 | -0.0139502490 | 0.0205716740 | 0.0242631110 | 0.0252645160 | 0.0153793470 |
| -0.0093424347 | -0.0000022522 | -0.0001567703 | -0.0013416535 | -0.0047098892 | 0.0078086243 | 0.0093346942 | 0.0096889916 | 0.0048344461 |
| -0.0092324265 | 0.0000017656 | -0.0000824973 | -0.0010334444 | -0.0039334955 | 0.0067881462 | 0.0083637021 | 0.0087559925 | 0.0042993113 |
| 0.0165707610 | 0.0000027276 | 0.0005164090 | 0.0037119516 | 0.0106892740 | -0.0148754540 | -0.0162175600 | -0.0164560700 | -0.0068509400 |
| 0.0133530550 | -0.0000007336 | 0.0005594258 | 0.0036974867 | 0.0093184727 | -0.0120777000 | -0.0128588500 | -0.0129852910 | -0.0061810694 |
| -0.0086465950 | 0.0000043935 | -0.0002710359 | -0.0020372006 | -0.0053105582 | 0.0070554716 | 0.0079066478 | 0.0081431909 | 0.0045904795 |
| -0.0081247712 | 0.0000000000 | -0.0003970913 | -0.0022800509 | -0.0059469392 | 0.0080516838 | 0.0084171623 | 0.0083742969 | 0.0019253000 |
| -0.0092247560 | 0.0000000000 | -0.0001906850 | -0.0013989201 | -0.0047836363 | 0.0082569313 | 0.0102703520 | 0.0108015470 | 0.0061580137 |
| -0.0074647026 | 0.0000000000 | -0.0000894506 | -0.0004963823 | -0.0024452165 | 0.0053460265 | 0.0071645657 | 0.0076233209 | 0.0054473160 |
| 0.0137388720 | 0.0000251558 | 0.0005415473 | 0.0046854391 | 0.0121062750 | -0.0143658980 | -0.0136763660 | -0.0132405640 | -0.0072187534 |
| 0.0083759113 | -0.0000185925 | -0.0001365899 | 0.0017069796 | 0.0068862381 | -0.0087851213 | -0.0085759137 | -0.0084136057 | -0.0045353836 |
| -0.0081946757 | -0.0000069765 | -0.0001145039 | -0.0020985588 | -0.0065902515 | 0.0086029144 | 0.0083795497 | 0.0080700138 | 0.0039417993 |
| -0.0089154261 | 0.0000138793 | -0.0000529192 | -0.0007353435 | -0.0035411780 | 0.0073678534 | 0.0098491830 | 0.0104890320 | 0.0063793116 |
| -0.0093424937 | -0.0000022522 | -0.0001567703 | -0.0013416535 | -0.0047098892 | 0.0078086243 | 0.0093346942 | 0.0096889916 | 0.0040107829 |
| -0.0110319160 | -0.0000000000 | -0.0000801659 | -0.0007404084 | -0.0036917169 | 0.0078446555 | 0.0104196570 | 0.0110626660 | 0.0052194911 |
| -0.0097855599 | 0.0000000000 | -0.0010467110 | -0.0043667030 | -0.0090137858 | 0.0109233300 | 0.0111771070 | 0.0111677640 | 0.0016802270 |
| -0.0170662150 | 0.0000000000 | -0.0012879082 | -0.0053857920 | -0.0116031190 | 0.0160275990 | 0.0183989820 | 0.0189964770 | 0.0047942183 |
| -0.0092494185 | 0.0000429476 | -0.0001321985 | -0.0012342514 | -0.0045204007 | 0.0080014583 | 0.0102007380 | 0.0107776200 | 0.0066862236 |
| -0.0092324468 | 0.0000017656 | -0.0000824973 | -0.0010334444 | -0.0039334955 | 0.0067881462 | 0.0083637021 | 0.0087559925 | 0.0051191007 |
| -0.0091372624 | -0.0000000000 | -0.0000420395 | -0.0005911960 | -0.0031920274 | 0.0068269233 | 0.0090621817 | 0.0096183435 | 0.0041980621 |
| -0.0117637810 | 0.0000000000 | -0.0009024194 | -0.0042495720 | -0.0100089360 | 0.0128380990 | 0.0132072720 | 0.0131690760 | 0.0023560149 |
| 0.0081701456 | 0.0000013199 | 0.0000842603 | 0.0010620854 | 0.0042107474 | -0.0073777517 | -0.0094734913 | -0.0101278650 | -0.0041757701 |
| -0.0082753336 | 0.0000000000 | -0.0005179499 | -0.0022572918 | -0.0053615425 | 0.0075842237 | 0.0084998522 | 0.0086911226 | 0.0017392608 |
| -0.0088707429 | 0.0000000000 | -0.0004281608 | -0.0020357206 | -0.0053803100 | 0.0084285468 | 0.0102451270 | 0.0107402680 | 0.0037052347 |
| -0.0076774983 | 0.0017011743 | -0.0016813000 | 0.0001136615 | 0.0000622386 | 0.0037459558 | 0.0070086206 | 0.0079840803 | 0.0205129880 |
| 0.0130728060 | 0.0000164408 | -0.0003607990 | 0.0005327132 | 0.0059529657 | -0.0110053050 | -0.0131962420 | -0.0136643030 | -0.0097737921 |
| 0.0151213440 | -0.0000174612 | 0.0001141490 | 0.0013043907 | 0.0059876355 | -0.0115210470 | -0.0147514380 | -0.0155529290 | -0.0108774220 |
| -0.0165076600 | -0.0000069105 | 0.0001450061 | -0.0010134338 | -0.0058173129 | 0.0107619010 | 0.0143133550 | 0.0154763280 | 0.0122700200 |
| 0.0165707330 | 0.0000027276 | 0.0005164090 | 0.0037119516 | 0.0106892740 | -0.0148754540 | -0.0162175600 | -0.0164560700 | -0.0072297971 |
| -0.0261308470 | -0.0000028948 | -0.0005493833 | -0.0036661032 | -0.0119470750 | 0.0201798140 | 0.0253289350 | 0.0267894510 | 0.0129402750 |
| -0.0127792400 | 0.0000000985 | -0.0006230151 | -0.0035159497 | -0.0092256083 | 0.0122137420 | 0.0127884070 | 0.0128075160 | 0.0038841072 |
| 0.0098337331 | -0.0000056985 | 0.0002625649 | 0.0017112469 | 0.0052208683 | -0.0078133154 | -0.0090394358 | -0.0093464741 | -0.0058150527 |
| 0.0090038900 | -0.0000015709 | -0.0000340427 | -0.0001200185 | 0.0012474348 | -0.0052149318 | -0.0084887775 | -0.0093972731 | -0.0069792228 |
| -0.0081025991 | 0.0000000000 | -0.0000572208 | -0.0003918886 | -0.0020481658 | 0.0052100933 | 0.0075752498 | 0.0082026762 | 0.0040068852 |
| 0.0129551790 | 0.0000027185 | 0.0005109683 | 0.0036491463 | 0.0102477800 | -0.0133380800 | -0.0133997380 | -0.0131799220 | -0.0039513813 |
| 0.0125227230 | 0.0000000592 | 0.0008821953 | 0.0042773265 | 0.0105673040 | -0.0138436970 | -0.0142154240 | -0.0141347710 | -0.0011279468 |
| 0.0109650260 | -0.0000004242 | -0.0000377304 | 0.0000272968 | 0.0020895936 | -0.0067215647 | -0.0102736790 | -0.0112556060 | -0.0078847211 |
| -0.0075602951 | 0.0000008989 | 0.0007007328 | 0.0006117845 | -0.0031224527 | 0.0062150168 | 0.0075856418 | 0.0079224927 | 0.0049433782 |
| 0.0097827018 | -0.0000015647 | -0.0005273231 | 0.0005065421 | 0.0052504831 | -0.0083376382 | -0.0103055950 | -0.0110127090 | -0.0063793542 |
| -0.0140699580 | 0.0000003462 | 0.0002014840 | -0.0009529776 | -0.0062424902 | 0.0110758030 | 0.0132984930 | 0.0137892160 | 0.0098279474 |
| 0.0133530750 | -0.0000007336 | 0.0005594258 | 0.0036974867 | 0.0093184727 | -0.0120777000 | -0.0128588500 | -0.0129852910 | -0.0062062597 |
| -0.0127791900 | 0.0000000985 | -0.0006230151 | -0.0035159497 | -0.0092256083 | 0.0122137420 | 0.0127884070 | 0.0128075160 | 0.0052028105 |
| -0.0221102170 | -0.0000000435 | -0.0008253693 | -0.0040926202 | -0.0101864010 | 0.0155963090 | 0.0190619810 | 0.0200353410 | 0.0133038720 |
| 0.0161175650 | 0.0000000863 | 0.0003531589 | 0.0021915980 | 0.0067598051 | -0.0110862400 | -0.0136905900 | -0.0144029980 | -0.0078261959 |
| -0.0081867376 | 0.0000000000 | 0.0000510546 | 0.0000530654 | -0.0022800060 | 0.0065245309 | 0.0088608018 | 0.0093369425 | 0.0065964883 |
| 0.0105134920 | -0.0000000908 | 0.0000364324 | 0.0000322069 | 0.0011363794 | -0.0049598314 | -0.0083705047 | -0.0093542124 | -0.0071159552 |
| -0.0103823610 | 0.0000000000 | -0.0000850710 | -0.0003427162 | -0.0019604462 | 0.0059551933 | 0.0092471890 | 0.0101802080 | 0.0076908986 |
| -0.0076091365 | 0.0035376869 | -0.0018563473 | 0.0000155743 | -0.0033218461 | 0.0076172530 | 0.0073085482 | 0.0065101256 | 0.0167676640 |
| 0.0172242390 | -0.0000057428 | -0.0001727138 | 0.0012204568 | 0.0072063557 | -0.0129440700 | -0.0160448270 | -0.0168299900 | -0.0106120800 |
| -0.0084937884 | 0.0000367549 | 0.0000702344 | -0.0016453396 | -0.0066597392 | 0.0090662684 | 0.0095463526 | 0.0096164176 | 0.0028290335 |
| 0.0093316822 | -0.0000025219 | -0.0001136656 | 0.0005455604 | 0.0035797354 | -0.0065581182 | -0.0081031856 | -0.0084862667 | -0.0055181964 |
| 0.0187670770 | -0.0000142628 | 0.0000131235 | 0.0016310135 | 0.0079725379 | -0.0142885590 | -0.0176850540 | -0.0185314700 | -0.0093038497 |
| -0.0086466618 | 0.0000043935 | -0.0002710359 | -0.0020372006 | -0.0053105582 | 0.0070554716 | 0.0079066478 | 0.0081431909 | 0.0045864738 |
| 0.0098336924 | -0.0000056985 | 0.0002625649 | 0.0017112469 | 0.0052208683 | -0.0078133154 | -0.0090394358 | -0.0093464741 | -0.0050608016 |
| 0.0161175670 | 0.0000000863 | 0.0003531589 | 0.0021915980 | 0.0067598051 | -0.0110862400 | -0.0136905900 | -0.0144029980 | -0.0075816927 |
| -0.0167851520 | -0.0000118918 | -0.0001760053 | -0.0015346213 | -0.0063332094 | 0.0118032710 | 0.0152259610 | 0.0161507800 | 0.0085401255 |
| 0.0085105256 | 0.0000013593 | 0.0000170911 | 0.0001647552 | 0.0024133188 | -0.0055870518 | -0.0073279507 | -0.0077509156 | -0.0051740209 |
| -0.0120492340 | 0.0000360403 | -0.0000787649 | -0.0029706863 | -0.0104531720 | 0.0128838660 | 0.0120464170 | 0.0116143990 | 0.0052292959 |
| 0.0079221914 | 0.0000000466 | -0.0001016580 | 0.0009879190 | 0.0051165677 | -0.0077014717 | -0.0077254062 | -0.0074513632 | -0.0065693551 |
| 0.0082543804 | -0.0000132946 | -0.0000449781 | 0.0014179278 | 0.0061506504 | -0.0080632451 | -0.0075895206 | -0.0072983152 | -0.0011321633 |
| 0.0111406390 | -0.0000003193 | 0.0005754100 | 0.0036411865 | 0.0092210298 | -0.0115765220 | -0.0116712350 | -0.0115360660 | -0.0037061949 |
| 0.0117191510 | 0.0000003353 | 0.0004323456 | 0.0028720921 | 0.0086359542 | -0.0119244700 | -0.0121174430 | -0.0118977840 | -0.0055332138 |
| -0.0130237880 | 0.0000000000 | 0.0004779651 | 0.0006951542 | -0.0032099078 | 0.0087409581 | 0.0123707650 | 0.0134212570 | 0.0095524203 |
| 0.0081980335 | -0.0000081689 | -0.0003557630 | -0.0004892060 | 0.0028516562 | -0.0069620167 | -0.0087716732 | -0.0091314036 | -0.0063290893 |
| 0.0074726253 | 0.0000064959 | -0.0000123391 | 0.0002050494 | 0.0026338761 | -0.0058466815 | -0.0075382378 | -0.0079408522 | -0.0039304461 |
| -0.0108181440 | 0.0000020481 | 0.0002038728 | 0.0000704230 | -0.0037489652 | 0.0082351245 | 0.0100648230 | 0.0103982620 | 0.0057175159 |
| 0.0085104992 | 0.0000013593 | 0.0000170911 | 0.0001647552 | 0.0024133188 | -0.0055870518 | -0.0073279507 | -0.0077509156 | -0.0043143198 |
| -0.0126042280 | -0.0000000000 | -0.0000897052 | -0.0004611503 | -0.0035053521 | 0.0086372289 | 0.0121258800 | 0.0131081990 | 0.0084444947 |
| -0.0083609695 | 0.0000290871 | 0.0003099034 | 0.0004049646 | -0.0020977716 | 0.0059296231 | 0.0087316760 | 0.0095884117 | 0.0063746743 |
| 0.0077546794 | -0.0000080020 | -0.0001336194 | 0.0001388733 | 0.0032500250 | -0.0064590251 | -0.0075550715 | -0.0077117145 | -0.0040830940 |
| -0.0079031821 | -0.0000041253 | -0.0000694668 | -0.0002732227 | -0.0017334679 | 0.0047256412 | 0.0069520422 | 0.0075791044 | 0.0040978021 |
| 0.0092771289 | 0.0000000000 | 0.0000466619 | 0.0007235881 | 0.0037675397 | -0.0074453658 | -0.0094303219 | -0.0098964065 | -0.0045494303 |
| 0.0088916084 | 0.0000000000 | 0.0000048519 | 0.0004155815 | 0.0028953144 | -0.0063541033 | -0.0082804590 | -0.0087245038 | -0.0044475748 |
#+begin_src R :results output :session *R* :exports both :var data=tab-ci-200dets
normalize <- function(x) {x / sqrt(sum(x^2))}
FCI <- normalize(data$FCI)
dH2O <- data.frame(FCI)
dH2O$mu_0 <- normalize(data$X0.0)
dH2O$mu_025 <- normalize(data$X0.25)
dH2O$mu_05 <- normalize(data$X0.5)
dH2O$mu_1 <- normalize(data$X1.0)
dH2O$mu_2 <- normalize(data$X2.0)
dH2O$mu_5 <- normalize(data$X5.0)
dH2O$mu_inf<- normalize(data$Inf.)
dH2O$jast <- normalize(data$Jastrow)
overlap <- function(x) {x <- abs(crossprod(x,dH2O$jast)[1]) }
H2O <- apply(dH2O,2,overlap)
H2O
#+end_src
#+RESULTS:
:
: FCI mu_0 mu_025 mu_05 mu_1 mu_2 mu_5 mu_inf
: 0.9908628 0.9875157 0.9885532 0.9918674 0.9943390 0.9926737 0.9906157 0.9899355
: jast
: 1.0000000
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R*
Mu <- c(0., 0.25, 0.5, 1., 2., 5., Inf)
X <- Mu/(Mu+1.)
X[7] <- 1.
H2O_FCI <- H2O["FCI"]
H2O <- subset(H2O, names(H2O) != "jast" & names(H2O) != "FCI")
ov = data.frame(Mu, H2O, X)
Mu <- as.character(Mu)
Mu[7] <- TeX("$\\infty$")
H2O.spline_int <- as.data.frame(spline(ov$"X", ov$"H2O", n=101))
p <- ggplot(ov, aes(x=X, y=H2O))
p <- p + geom_line(data = H2O.spline_int, aes(x=x, y=y, colour='red'),
show.legend=FALSE, lwd=2)
p <- p + geom_point(aes(x=X,y=H2O), lwd=2.)
p <- p + scale_x_continuous(name=TeX("$\\mu$ (bohr$^{-1}$)"), breaks=X, labels=Mu)
p <- p + scale_y_continuous(name = TeX("Overlap"))
p <- p + theme(text = element_text(size = 20, family="Times"),
legend.position = c(.85, .15))
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figurePaDuGp.png]]
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/overlap.pdf", family="Times", width=8, height=5)
p
dev.off()
#+end_src
*** DMC energies
#+NAME:tab-h2o-200
| Mu | E | Error |
|------+----------------+--------------|
| 0.00 | -17.2537075442 | 0.0003272719 |
| 0.25 | -17.2540586404 | 0.0002976313 |
| 0.50 | -17.2550687726 | 0.0002976167 |
| 1.00 | -17.2552742178 | 0.0002854467 |
| 2.00 | -17.2529369035 | 0.0002926223 |
| 5.00 | -17.2501268640 | 0.0003236742 |
| Inf | -17.2492453661 | 0.0003067415 |
DMC Energy of Jastrow-optimized WF : 17.2550782462 +/- 0.0002578873
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R* :var data=tab-h2o-200
Mu <- c(0., 0.25, 0.5, 1., 2., 5., Inf)
data$X <- Mu/(Mu+1.)
data$X[7] <- 1.
Mu <- as.character(Mu)
Mu[7] <- TeX("$\\infty$")
Eref <- -17.2550782462
Eref_err <- 0.0002578873
x <- c(0., 1.)
Jast <- data.frame(x)
Jast$y <- c(Eref,Eref)
Jast$lo <- c(Eref-Eref_err,Eref-Eref_err)
Jast$hi <- c(Eref+Eref_err,Eref+Eref_err)
print(Jast)
E.lo <- data$E - data$Error
E.hi <- data$E + data$Error
E <- data$E
X <- data$X
H2O.spline_int <- as.data.frame(spline(X, E, n=101))
H2O.spline_int$hi <- as.data.frame(spline(X, E.hi, n=101))$y
H2O.spline_int$lo <- as.data.frame(spline(X, E.lo, n=101))$y
p <- ggplot(H2O.spline_int, aes(x=x, y=y, ymin=lo, ymax=hi, fill="red"))
p <- p + geom_ribbon(data=Jast, aes(x=x, y=y, ymin=lo, ymax=hi),
alpha=0.25, fill="blue", show.legend = FALSE)
p <- p + geom_ribbon(alpha=0.5, show.legend = FALSE)
p <- p + geom_point(data=data, aes(x=X, y=E, ymin=E.lo, ymax=E.hi), show.legend=FALSE)
p <- p + geom_errorbar(data=data, aes(x=X, y=E, ymin=E.lo, ymax=E.hi),
show.legend=FALSE, width=.02)
p <- p + scale_x_continuous(name=TeX("$\\mu$ (bohr$^{-1}$)"), breaks=X, labels=Mu)
p <- p + scale_y_continuous(name = TeX("E_{DMC} (a.u.)"))
p <- p + theme(text = element_text(size = 20, family="Times") )
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figurexb6GSh.png]]
Export to pdf
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/h2o-200-dmc.pdf", family="Times", width=8, height=5)
p
dev.off()
#+end_src
** On-top pair density
#+NAME:tab-on-top
| R | 0.0 | 0.25 | 0.5 | 1.0 | 2.0 | 5.0 | Inf. | Jastrow |
|------------+------------+------------+------------+------------+------------+------------+------------+------------|
| 0.00000000 | 0.01332168 | 0.01320320 | 0.01302074 | 0.01312566 | 0.01328975 | 0.01327206 | 0.01324341 | 0.01377883 |
| 0.00253922 | 0.01322232 | 0.01310340 | 0.01292005 | 0.01302479 | 0.01318785 | 0.01316936 | 0.01314060 | 0.01369555 |
| 0.00507845 | 0.01314592 | 0.01302649 | 0.01284207 | 0.01294626 | 0.01310790 | 0.01308832 | 0.01305936 | 0.01363532 |
| 0.00761767 | 0.01309228 | 0.01297230 | 0.01278659 | 0.01288984 | 0.01304967 | 0.01302871 | 0.01299946 | 0.01359794 |
| 0.01015690 | 0.01306126 | 0.01294064 | 0.01275343 | 0.01285535 | 0.01301297 | 0.01299033 | 0.01296070 | 0.01358330 |
| 0.01269613 | 0.01305275 | 0.01293143 | 0.01274248 | 0.01284263 | 0.01299763 | 0.01297300 | 0.01294289 | 0.01359127 |
| 0.01523535 | 0.01306670 | 0.01294460 | 0.01275365 | 0.01285159 | 0.01300354 | 0.01297660 | 0.01294592 | 0.01362182 |
| 0.01777458 | 0.01310310 | 0.01298013 | 0.01278690 | 0.01288215 | 0.01303060 | 0.01300102 | 0.01296967 | 0.01367491 |
| 0.02031380 | 0.01316199 | 0.01303806 | 0.01284225 | 0.01293430 | 0.01307876 | 0.01304622 | 0.01301408 | 0.01375058 |
| 0.02285302 | 0.01324345 | 0.01311846 | 0.01291975 | 0.01300804 | 0.01314803 | 0.01311215 | 0.01307913 | 0.01384889 |
| 0.02539225 | 0.01334761 | 0.01322146 | 0.01301950 | 0.01310344 | 0.01323843 | 0.01319884 | 0.01316482 | 0.01396993 |
| 0.02793148 | 0.01347465 | 0.01334722 | 0.01314163 | 0.01322060 | 0.01335000 | 0.01330631 | 0.01327118 | 0.01411386 |
| 0.03047070 | 0.01362478 | 0.01349596 | 0.01328634 | 0.01335964 | 0.01348286 | 0.01343465 | 0.01339828 | 0.01428084 |
| 0.03300993 | 0.01379827 | 0.01366792 | 0.01345384 | 0.01352074 | 0.01363714 | 0.01358397 | 0.01354624 | 0.01447111 |
| 0.03554915 | 0.01399541 | 0.01386341 | 0.01364441 | 0.01370412 | 0.01381299 | 0.01375441 | 0.01371517 | 0.01468491 |
| 0.03808838 | 0.01421656 | 0.01408277 | 0.01385834 | 0.01391001 | 0.01401063 | 0.01394614 | 0.01390526 | 0.01492253 |
| 0.04062760 | 0.01446209 | 0.01432635 | 0.01409599 | 0.01413870 | 0.01423028 | 0.01415936 | 0.01411669 | 0.01518429 |
| 0.04316682 | 0.01473242 | 0.01459459 | 0.01435773 | 0.01439050 | 0.01447219 | 0.01439430 | 0.01434968 | 0.01547056 |
| 0.04570605 | 0.01502801 | 0.01488792 | 0.01464397 | 0.01466577 | 0.01473667 | 0.01465124 | 0.01460450 | 0.01578171 |
| 0.04824527 | 0.01534936 | 0.01520684 | 0.01495517 | 0.01496487 | 0.01502404 | 0.01493045 | 0.01488142 | 0.01611817 |
| 0.05078450 | 0.01569698 | 0.01555185 | 0.01529180 | 0.01528821 | 0.01533464 | 0.01523225 | 0.01518075 | 0.01648039 |
| 0.05332373 | 0.01607142 | 0.01592351 | 0.01565438 | 0.01563624 | 0.01566885 | 0.01555698 | 0.01550281 | 0.01686882 |
| 0.05586295 | 0.01647328 | 0.01632238 | 0.01604345 | 0.01600941 | 0.01602706 | 0.01590500 | 0.01584796 | 0.01728398 |
| 0.05840218 | 0.01690316 | 0.01674908 | 0.01645958 | 0.01640822 | 0.01640969 | 0.01627670 | 0.01621657 | 0.01772639 |
| 0.06094140 | 0.01736170 | 0.01720423 | 0.01690334 | 0.01683316 | 0.01681719 | 0.01667247 | 0.01660904 | 0.01819659 |
| 0.06348062 | 0.01784956 | 0.01768849 | 0.01737537 | 0.01728478 | 0.01725002 | 0.01709275 | 0.01702578 | 0.01869514 |
| 0.06601985 | 0.01836742 | 0.01820252 | 0.01787628 | 0.01776362 | 0.01770866 | 0.01753797 | 0.01746722 | 0.01922263 |
| 0.06855907 | 0.01891597 | 0.01874702 | 0.01840674 | 0.01827025 | 0.01819361 | 0.01800860 | 0.01793381 | 0.01977965 |
| 0.07109830 | 0.01949593 | 0.01932270 | 0.01896742 | 0.01880526 | 0.01870537 | 0.01850509 | 0.01842600 | 0.02036682 |
| 0.07363752 | 0.02010803 | 0.01993027 | 0.01955900 | 0.01936924 | 0.01924448 | 0.01902794 | 0.01894427 | 0.02098476 |
| 0.07617675 | 0.02075301 | 0.02057047 | 0.02018217 | 0.01996279 | 0.01981146 | 0.01957763 | 0.01948911 | 0.02163411 |
| 0.07871597 | 0.02143162 | 0.02124404 | 0.02083764 | 0.02058655 | 0.02040686 | 0.02015468 | 0.02006099 | 0.02231551 |
| 0.08125520 | 0.02214461 | 0.02195174 | 0.02152612 | 0.02124114 | 0.02103123 | 0.02075958 | 0.02066043 | 0.02302961 |
| 0.08379443 | 0.02289275 | 0.02269432 | 0.02224833 | 0.02192717 | 0.02168512 | 0.02139286 | 0.02128792 | 0.02377706 |
| 0.08633365 | 0.02367680 | 0.02347253 | 0.02300499 | 0.02264530 | 0.02236911 | 0.02205503 | 0.02194397 | 0.02455851 |
| 0.08887288 | 0.02449752 | 0.02428713 | 0.02379682 | 0.02339615 | 0.02308374 | 0.02274662 | 0.02262909 | 0.02537463 |
| 0.09141210 | 0.02535568 | 0.02513888 | 0.02462454 | 0.02418036 | 0.02382957 | 0.02346813 | 0.02334380 | 0.02622606 |
| 0.09395133 | 0.02625202 | 0.02602853 | 0.02548887 | 0.02499855 | 0.02460718 | 0.02422010 | 0.02408859 | 0.02711345 |
| 0.09649055 | 0.02718730 | 0.02695681 | 0.02639051 | 0.02585137 | 0.02541711 | 0.02500303 | 0.02486396 | 0.02803744 |
| 0.09902978 | 0.02816226 | 0.02792447 | 0.02733017 | 0.02673942 | 0.02625991 | 0.02581743 | 0.02567043 | 0.02899866 |
| 0.10156900 | 0.02917761 | 0.02893222 | 0.02830853 | 0.02766331 | 0.02713611 | 0.02666381 | 0.02650848 | 0.02999774 |
| 0.10410822 | 0.03023408 | 0.02998077 | 0.02932626 | 0.02862364 | 0.02804626 | 0.02754266 | 0.02737860 | 0.03103528 |
| 0.10664745 | 0.03133236 | 0.03107082 | 0.03038404 | 0.02962101 | 0.02899087 | 0.02845447 | 0.02828125 | 0.03211187 |
| 0.10918667 | 0.03247312 | 0.03220302 | 0.03148251 | 0.03065597 | 0.02997045 | 0.02939969 | 0.02921689 | 0.03322810 |
| 0.11172590 | 0.03365702 | 0.03337805 | 0.03262228 | 0.03172909 | 0.03098549 | 0.03037879 | 0.03018599 | 0.03438452 |
| 0.11426512 | 0.03488469 | 0.03459652 | 0.03380397 | 0.03284089 | 0.03203646 | 0.03139221 | 0.03118895 | 0.03558168 |
| 0.11680435 | 0.03615675 | 0.03585903 | 0.03502814 | 0.03399190 | 0.03312381 | 0.03244038 | 0.03222621 | 0.03682007 |
| 0.11934357 | 0.03747377 | 0.03716618 | 0.03629537 | 0.03518260 | 0.03424800 | 0.03352369 | 0.03329816 | 0.03810021 |
| 0.12188280 | 0.03883630 | 0.03851851 | 0.03760617 | 0.03641346 | 0.03540942 | 0.03464254 | 0.03440517 | 0.03942256 |
| 0.12442202 | 0.04024486 | 0.03991653 | 0.03896104 | 0.03768493 | 0.03660848 | 0.03579728 | 0.03554761 | 0.04078755 |
| 0.12696125 | 0.04169995 | 0.04136073 | 0.04036045 | 0.03899741 | 0.03784554 | 0.03698826 | 0.03672581 | 0.04219560 |
| 0.12950047 | 0.04320202 | 0.04285157 | 0.04180484 | 0.04035131 | 0.03912094 | 0.03821581 | 0.03794007 | 0.04364709 |
| 0.13203970 | 0.04475149 | 0.04438947 | 0.04329461 | 0.04174697 | 0.04043500 | 0.03948020 | 0.03919069 | 0.04514238 |
| 0.13457892 | 0.04634874 | 0.04597480 | 0.04483012 | 0.04318473 | 0.04178801 | 0.04078171 | 0.04047792 | 0.04668176 |
| 0.13711815 | 0.04799412 | 0.04760791 | 0.04641172 | 0.04466486 | 0.04318022 | 0.04212057 | 0.04180200 | 0.04826554 |
| 0.13965737 | 0.04968792 | 0.04928911 | 0.04803969 | 0.04618764 | 0.04461187 | 0.04349700 | 0.04316314 | 0.04989396 |
| 0.14219660 | 0.05143042 | 0.05101865 | 0.04971428 | 0.04775330 | 0.04608315 | 0.04491117 | 0.04456150 | 0.05156722 |
| 0.14473582 | 0.05322183 | 0.05279676 | 0.05143572 | 0.04936201 | 0.04759422 | 0.04636324 | 0.04599725 | 0.05328551 |
| 0.14727505 | 0.05506233 | 0.05462362 | 0.05320418 | 0.05101393 | 0.04914521 | 0.04785333 | 0.04747049 | 0.05504897 |
| 0.14981427 | 0.05695206 | 0.05649936 | 0.05501979 | 0.05270918 | 0.05073623 | 0.04938152 | 0.04898130 | 0.05685768 |
| 0.15235350 | 0.05889111 | 0.05842407 | 0.05688263 | 0.05444783 | 0.05236734 | 0.05094786 | 0.05052975 | 0.05871171 |
| 0.15489272 | 0.06087952 | 0.06039781 | 0.05879276 | 0.05622993 | 0.05403856 | 0.05255239 | 0.05211585 | 0.06061107 |
| 0.15743195 | 0.06291728 | 0.06242056 | 0.06075019 | 0.05805547 | 0.05574989 | 0.05419509 | 0.05373960 | 0.06255575 |
| 0.15997117 | 0.06500435 | 0.06449228 | 0.06275486 | 0.05992441 | 0.05750128 | 0.05587591 | 0.05540093 | 0.06454567 |
| 0.16251040 | 0.06714064 | 0.06661289 | 0.06480669 | 0.06183667 | 0.05929265 | 0.05759478 | 0.05709978 | 0.06658074 |
| 0.16504962 | 0.06932600 | 0.06878223 | 0.06690555 | 0.06379213 | 0.06112389 | 0.05935157 | 0.05883604 | 0.06866081 |
| 0.16758885 | 0.07156023 | 0.07100013 | 0.06905127 | 0.06579062 | 0.06299483 | 0.06114615 | 0.06060954 | 0.07078568 |
| 0.17012807 | 0.07384312 | 0.07326635 | 0.07124362 | 0.06783194 | 0.06490530 | 0.06297833 | 0.06242012 | 0.07295513 |
| 0.17266730 | 0.07617435 | 0.07558060 | 0.07348233 | 0.06991585 | 0.06685506 | 0.06484788 | 0.06426755 | 0.07516888 |
| 0.17520652 | 0.07855361 | 0.07794256 | 0.07576710 | 0.07204207 | 0.06884385 | 0.06675455 | 0.06615159 | 0.07742661 |
| 0.17774575 | 0.08098052 | 0.08035185 | 0.07809756 | 0.07421025 | 0.07087135 | 0.06869806 | 0.06807194 | 0.07972798 |
| 0.18028497 | 0.08345464 | 0.08280805 | 0.08047332 | 0.07642004 | 0.07293724 | 0.07067807 | 0.07002829 | 0.08207257 |
| 0.18282420 | 0.08597550 | 0.08531070 | 0.08289391 | 0.07867104 | 0.07504114 | 0.07269424 | 0.07202029 | 0.08445995 |
| 0.18536342 | 0.08854258 | 0.08785926 | 0.08535886 | 0.08096278 | 0.07718263 | 0.07474616 | 0.07404754 | 0.08688964 |
| 0.18790265 | 0.09115532 | 0.09045320 | 0.08786763 | 0.08329479 | 0.07936127 | 0.07683342 | 0.07610962 | 0.08936111 |
| 0.19044187 | 0.09381310 | 0.09309189 | 0.09041963 | 0.08566654 | 0.08157657 | 0.07895554 | 0.07820609 | 0.09187381 |
| 0.19298110 | 0.09651526 | 0.09577469 | 0.09301426 | 0.08807747 | 0.08382801 | 0.08111205 | 0.08033645 | 0.09442713 |
| 0.19552032 | 0.09926112 | 0.09850091 | 0.09565084 | 0.09052696 | 0.08611504 | 0.08330240 | 0.08250018 | 0.09702042 |
| 0.19805955 | 0.10204992 | 0.10126981 | 0.09832867 | 0.09301439 | 0.08843708 | 0.08552605 | 0.08469674 | 0.09965303 |
| 0.20059877 | 0.10488089 | 0.10408062 | 0.10104700 | 0.09553908 | 0.09079349 | 0.08778240 | 0.08692555 | 0.10232422 |
| 0.20313800 | 0.10775319 | 0.10693251 | 0.10380507 | 0.09810031 | 0.09318363 | 0.09007083 | 0.08918599 | 0.10503325 |
| 0.20567722 | 0.11066597 | 0.10982464 | 0.10660203 | 0.10069735 | 0.09560682 | 0.09239070 | 0.09147743 | 0.10777933 |
| 0.20821645 | 0.11361832 | 0.11275610 | 0.10943704 | 0.10332940 | 0.09806234 | 0.09474133 | 0.09379918 | 0.11056164 |
| 0.21075567 | 0.11660929 | 0.11572596 | 0.11230921 | 0.10599566 | 0.10054944 | 0.09712200 | 0.09615057 | 0.11337932 |
| 0.21329490 | 0.11963793 | 0.11873326 | 0.11521759 | 0.10869529 | 0.10306735 | 0.09953199 | 0.09853087 | 0.11623150 |
| 0.21583412 | 0.12270320 | 0.12177699 | 0.11816124 | 0.11142740 | 0.10561528 | 0.10197054 | 0.10093932 | 0.11911725 |
| 0.21837335 | 0.12580407 | 0.12485612 | 0.12113915 | 0.11419110 | 0.10819238 | 0.10443685 | 0.10337515 | 0.12203562 |
| 0.22091257 | 0.12893947 | 0.12796957 | 0.12415030 | 0.11698545 | 0.11079781 | 0.10693013 | 0.10583756 | 0.12498565 |
| 0.22345180 | 0.13210827 | 0.13111625 | 0.12719364 | 0.11980950 | 0.11343070 | 0.10944953 | 0.10832574 | 0.12796632 |
| 0.22599102 | 0.13530935 | 0.13429502 | 0.13026808 | 0.12266225 | 0.11609012 | 0.11199420 | 0.11083884 | 0.13097661 |
| 0.22853025 | 0.13854154 | 0.13750474 | 0.13337251 | 0.12554271 | 0.11877517 | 0.11456327 | 0.11337600 | 0.13401546 |
| 0.23106947 | 0.14180365 | 0.14074422 | 0.13650580 | 0.12844983 | 0.12148490 | 0.11715583 | 0.11593632 | 0.13708180 |
| 0.23360870 | 0.14509446 | 0.14401225 | 0.13966678 | 0.13138257 | 0.12421833 | 0.11977098 | 0.11851892 | 0.14017453 |
| 0.23614792 | 0.14841273 | 0.14730760 | 0.14285428 | 0.13433984 | 0.12697449 | 0.12240777 | 0.12112286 | 0.14329252 |
| 0.23868715 | 0.15175720 | 0.15062902 | 0.14606709 | 0.13732056 | 0.12975238 | 0.12506526 | 0.12374722 | 0.14643464 |
| 0.24122637 | 0.15512659 | 0.15397523 | 0.14930399 | 0.14032361 | 0.13255097 | 0.12774247 | 0.12639104 | 0.14959973 |
| 0.24376560 | 0.15851960 | 0.15734496 | 0.15256373 | 0.14334786 | 0.13536922 | 0.13043844 | 0.12905336 | 0.15278661 |
| 0.24630482 | 0.16193491 | 0.16073688 | 0.15584507 | 0.14639217 | 0.13820611 | 0.13315217 | 0.13173319 | 0.15599410 |
| 0.24884405 | 0.16537120 | 0.16414968 | 0.15914673 | 0.14945539 | 0.14106055 | 0.13588265 | 0.13442954 | 0.15922099 |
| 0.25138327 | 0.16882711 | 0.16758202 | 0.16246743 | 0.15253633 | 0.14393149 | 0.13862887 | 0.13714143 | 0.16246607 |
| 0.25392250 | 0.17230129 | 0.17103256 | 0.16580586 | 0.15563383 | 0.14681784 | 0.14138979 | 0.13986783 | 0.16572810 |
| 0.25646172 | 0.17579236 | 0.17449993 | 0.16916073 | 0.15874669 | 0.14971851 | 0.14416440 | 0.14260772 | 0.16900587 |
| 0.25900095 | 0.17929897 | 0.17798277 | 0.17253071 | 0.16187372 | 0.15263240 | 0.14695164 | 0.14536008 | 0.17229811 |
| 0.26154017 | 0.18281971 | 0.18147971 | 0.17591449 | 0.16501371 | 0.15555841 | 0.14975047 | 0.14812389 | 0.17560359 |
| 0.26407940 | 0.18635320 | 0.18498935 | 0.17931073 | 0.16816544 | 0.15849542 | 0.15255983 | 0.15089810 | 0.17892105 |
| 0.26661862 | 0.18989805 | 0.18851033 | 0.18271811 | 0.17132771 | 0.16144234 | 0.15537868 | 0.15368167 | 0.18224922 |
| 0.26915785 | 0.19345286 | 0.19204125 | 0.18613529 | 0.17449930 | 0.16439804 | 0.15820596 | 0.15647356 | 0.18558684 |
| 0.27169707 | 0.19701623 | 0.19558073 | 0.18956093 | 0.17767900 | 0.16736140 | 0.16104060 | 0.15927272 | 0.18893266 |
| 0.27423630 | 0.20058676 | 0.19912737 | 0.19299370 | 0.18086557 | 0.17033131 | 0.16388154 | 0.16207812 | 0.19228542 |
| 0.27677552 | 0.20416307 | 0.20267979 | 0.19643226 | 0.18405781 | 0.17330666 | 0.16672773 | 0.16488871 | 0.19564384 |
| 0.27931475 | 0.20774376 | 0.20623662 | 0.19987529 | 0.18725450 | 0.17628632 | 0.16957812 | 0.16770345 | 0.19900667 |
| 0.28185397 | 0.21132743 | 0.20979646 | 0.20332144 | 0.19045444 | 0.17926919 | 0.17243164 | 0.17052130 | 0.20237265 |
| 0.28439320 | 0.21491272 | 0.21335795 | 0.20676941 | 0.19365640 | 0.18225416 | 0.17528724 | 0.17334123 | 0.20574055 |
| 0.28693242 | 0.21849825 | 0.21691973 | 0.21021788 | 0.19685920 | 0.18524013 | 0.17814390 | 0.17616220 | 0.20910911 |
| 0.28947165 | 0.22208265 | 0.22048044 | 0.21366553 | 0.20006164 | 0.18822600 | 0.18100055 | 0.17898320 | 0.21247710 |
| 0.29201087 | 0.22566457 | 0.22403873 | 0.21711108 | 0.20326254 | 0.19121070 | 0.18385618 | 0.18180320 | 0.21584329 |
| 0.29455010 | 0.22924266 | 0.22759327 | 0.22055323 | 0.20646071 | 0.19419313 | 0.18670975 | 0.18462120 | 0.21920647 |
| 0.29708932 | 0.23281560 | 0.23114273 | 0.22399072 | 0.20965500 | 0.19717224 | 0.18956026 | 0.18743619 | 0.22256543 |
| 0.29962855 | 0.23638206 | 0.23468581 | 0.22742227 | 0.21284425 | 0.20014695 | 0.19240670 | 0.19024719 | 0.22591897 |
| 0.30216777 | 0.23994075 | 0.23822122 | 0.23084665 | 0.21602733 | 0.20311623 | 0.19524807 | 0.19305322 | 0.22926592 |
| 0.30470700 | 0.24349037 | 0.24174766 | 0.23426260 | 0.21920309 | 0.20607904 | 0.19808339 | 0.19585331 | 0.23260510 |
| 0.30724622 | 0.24702965 | 0.24526388 | 0.23766893 | 0.22237043 | 0.20903434 | 0.20091169 | 0.19864649 | 0.23593537 |
| 0.30978545 | 0.25055735 | 0.24876864 | 0.24106443 | 0.22552825 | 0.21198115 | 0.20373201 | 0.20143183 | 0.23925559 |
| 0.31232467 | 0.25407222 | 0.25226071 | 0.24444790 | 0.22867546 | 0.21491844 | 0.20654341 | 0.20420838 | 0.24256463 |
| 0.31486390 | 0.25757306 | 0.25573887 | 0.24781820 | 0.23181100 | 0.21784526 | 0.20934494 | 0.20697525 | 0.24586139 |
| 0.31740312 | 0.26105867 | 0.25920195 | 0.25117416 | 0.23493382 | 0.22076063 | 0.21213571 | 0.20973151 | 0.24914479 |
| 0.31994235 | 0.26452787 | 0.26264878 | 0.25451467 | 0.23804289 | 0.22366360 | 0.21491479 | 0.21247629 | 0.25241376 |
| 0.32248157 | 0.26797951 | 0.26607821 | 0.25783862 | 0.24113719 | 0.22655324 | 0.21768132 | 0.21520871 | 0.25566724 |
| 0.32502080 | 0.27141247 | 0.26948912 | 0.26114493 | 0.24421572 | 0.22942864 | 0.22043443 | 0.21792791 | 0.25890422 |
| 0.32756002 | 0.27482563 | 0.27288041 | 0.26443253 | 0.24727753 | 0.23228890 | 0.22317325 | 0.22063306 | 0.26212368 |
| 0.33009925 | 0.27821792 | 0.27625101 | 0.26770039 | 0.25032165 | 0.23513315 | 0.22589696 | 0.22332333 | 0.26532463 |
| 0.33263847 | 0.28158828 | 0.27959986 | 0.27094749 | 0.25334715 | 0.23796052 | 0.22860474 | 0.22599792 | 0.26850612 |
| 0.33517770 | 0.28493568 | 0.28292593 | 0.27417284 | 0.25635312 | 0.24077018 | 0.23129580 | 0.22865605 | 0.27166720 |
| 0.33771692 | 0.28825910 | 0.28622824 | 0.27737546 | 0.25933867 | 0.24356130 | 0.23396935 | 0.23129694 | 0.27480694 |
| 0.34025615 | 0.29155757 | 0.28950580 | 0.28055442 | 0.26230293 | 0.24633310 | 0.23662464 | 0.23391984 | 0.27792446 |
| 0.34279537 | 0.29483014 | 0.29275765 | 0.28370880 | 0.26524506 | 0.24908478 | 0.23926093 | 0.23652404 | 0.28101887 |
| 0.34533460 | 0.29807586 | 0.29598289 | 0.28683771 | 0.26816423 | 0.25181560 | 0.24187748 | 0.23910881 | 0.28408932 |
| 0.34787382 | 0.30129385 | 0.29918060 | 0.28994027 | 0.27105966 | 0.25452481 | 0.24447362 | 0.24167346 | 0.28713499 |
| 0.35041305 | 0.30448322 | 0.30234993 | 0.29301565 | 0.27393056 | 0.25721170 | 0.24704865 | 0.24421733 | 0.29015507 |
| 0.35295227 | 0.30764313 | 0.30549003 | 0.29606302 | 0.27677618 | 0.25987558 | 0.24960191 | 0.24673977 | 0.29314879 |
| 0.35549150 | 0.31077276 | 0.30860008 | 0.29908161 | 0.27959579 | 0.26251577 | 0.25213276 | 0.24924014 | 0.29611538 |
| 0.35803072 | 0.31387132 | 0.31167929 | 0.30207065 | 0.28238869 | 0.26513163 | 0.25464059 | 0.25171783 | 0.29905413 |
| 0.36056995 | 0.31693804 | 0.31472691 | 0.30502940 | 0.28515420 | 0.26772252 | 0.25712480 | 0.25417225 | 0.30196432 |
| 0.36310917 | 0.31997218 | 0.31774221 | 0.30795715 | 0.28789167 | 0.27028784 | 0.25958481 | 0.25660283 | 0.30484527 |
| 0.36564840 | 0.32297304 | 0.32072447 | 0.31085321 | 0.29060046 | 0.27282700 | 0.26202006 | 0.25900903 | 0.30769633 |
| 0.36818762 | 0.32593994 | 0.32367303 | 0.31371695 | 0.29327996 | 0.27533944 | 0.26443002 | 0.26139032 | 0.31051687 |
| 0.37072685 | 0.32887222 | 0.32658723 | 0.31654771 | 0.29592960 | 0.27782463 | 0.26681417 | 0.26374618 | 0.31330628 |
| 0.37326607 | 0.33176927 | 0.32946646 | 0.31934491 | 0.29854881 | 0.28028204 | 0.26917201 | 0.26607613 | 0.31606398 |
| 0.37580530 | 0.33463047 | 0.33231011 | 0.32210796 | 0.30113706 | 0.28271117 | 0.27150309 | 0.26837970 | 0.31878941 |
| 0.37834452 | 0.33745527 | 0.33511762 | 0.32483631 | 0.30369383 | 0.28511156 | 0.27380693 | 0.27065646 | 0.32148205 |
| 0.38088375 | 0.34024312 | 0.33788846 | 0.32752944 | 0.30621864 | 0.28748275 | 0.27608312 | 0.27290596 | 0.32414137 |
| 0.38342297 | 0.34299350 | 0.34062211 | 0.33018686 | 0.30871103 | 0.28982430 | 0.27833123 | 0.27512781 | 0.32676692 |
| 0.38596220 | 0.34570594 | 0.34331809 | 0.33280808 | 0.31117056 | 0.29213581 | 0.28055088 | 0.27732161 | 0.32935821 |
| 0.38850142 | 0.34837996 | 0.34597593 | 0.33539267 | 0.31359680 | 0.29441689 | 0.28274170 | 0.27948701 | 0.33191482 |
| 0.39104065 | 0.35101514 | 0.34859521 | 0.33794021 | 0.31598937 | 0.29666718 | 0.28490333 | 0.28162365 | 0.33443634 |
| 0.39357987 | 0.35361107 | 0.35117553 | 0.34045030 | 0.31834790 | 0.29888632 | 0.28703545 | 0.28373122 | 0.33692238 |
| 0.39611910 | 0.35616736 | 0.35371650 | 0.34292256 | 0.32067204 | 0.30107399 | 0.28913775 | 0.28580940 | 0.33937258 |
| 0.39865832 | 0.35868367 | 0.35621776 | 0.34535666 | 0.32296146 | 0.30322990 | 0.29120992 | 0.28785790 | 0.34178659 |
| 0.40119755 | 0.36115965 | 0.35867900 | 0.34775228 | 0.32521585 | 0.30535374 | 0.29325171 | 0.28987646 | 0.34416410 |
| 0.40373677 | 0.36359502 | 0.36109991 | 0.35010911 | 0.32743495 | 0.30744526 | 0.29526286 | 0.29186482 | 0.34650482 |
| 0.40627600 | 0.36598948 | 0.36348020 | 0.35242689 | 0.32961849 | 0.30950421 | 0.29724312 | 0.29382276 | 0.34880846 |
| 0.40881522 | 0.36834278 | 0.36581963 | 0.35470535 | 0.33176623 | 0.31153038 | 0.29919229 | 0.29575005 | 0.35107478 |
| 0.41135445 | 0.37065469 | 0.36811796 | 0.35694429 | 0.33387795 | 0.31352354 | 0.30111017 | 0.29764651 | 0.35330355 |
| 0.41389367 | 0.37292501 | 0.37037499 | 0.35914349 | 0.33595346 | 0.31548352 | 0.30299657 | 0.29951195 | 0.35549455 |
| 0.41643290 | 0.37515354 | 0.37259054 | 0.36130277 | 0.33799258 | 0.31741014 | 0.30485133 | 0.30134622 | 0.35764761 |
| 0.41897212 | 0.37734012 | 0.37476443 | 0.36342197 | 0.33999515 | 0.31930326 | 0.30667432 | 0.30314916 | 0.35976255 |
| 0.42151135 | 0.37948462 | 0.37689654 | 0.36550095 | 0.34196104 | 0.32116274 | 0.30846539 | 0.30492066 | 0.36183923 |
| 0.42405057 | 0.38158692 | 0.37898674 | 0.36753959 | 0.34389013 | 0.32298846 | 0.31022444 | 0.30666060 | 0.36387751 |
| 0.42658980 | 0.38364692 | 0.38103493 | 0.36953781 | 0.34578232 | 0.32478034 | 0.31195137 | 0.30836889 | 0.36587730 |
| 0.42912902 | 0.38566454 | 0.38304105 | 0.37149551 | 0.34763753 | 0.32653828 | 0.31364610 | 0.31004544 | 0.36783849 |
| 0.43166825 | 0.38763973 | 0.38500504 | 0.37341264 | 0.34945568 | 0.32826222 | 0.31530857 | 0.31169019 | 0.36976103 |
| 0.43420747 | 0.38957245 | 0.38692686 | 0.37528916 | 0.35123675 | 0.32995211 | 0.31693872 | 0.31330309 | 0.37164485 |
| 0.43674670 | 0.39146270 | 0.38880649 | 0.37712506 | 0.35298070 | 0.33160793 | 0.31853652 | 0.31488411 | 0.37348991 |
| 0.43928592 | 0.39331046 | 0.39064394 | 0.37892033 | 0.35468751 | 0.33322964 | 0.32010196 | 0.31643323 | 0.37529621 |
| 0.44182515 | 0.39511577 | 0.39243923 | 0.38067498 | 0.35635720 | 0.33481725 | 0.32163502 | 0.31795044 | 0.37706374 |
| 0.44436437 | 0.39687865 | 0.39419239 | 0.38238905 | 0.35798978 | 0.33637077 | 0.32313572 | 0.31943575 | 0.37879251 |
| 0.44690360 | 0.39859918 | 0.39590349 | 0.38406260 | 0.35958528 | 0.33789022 | 0.32460407 | 0.32088918 | 0.38048255 |
| 0.44944282 | 0.40027742 | 0.39757260 | 0.38569567 | 0.36114376 | 0.33937564 | 0.32604011 | 0.32231076 | 0.38213391 |
| 0.45198205 | 0.40191347 | 0.39919981 | 0.38728837 | 0.36266529 | 0.34082709 | 0.32744388 | 0.32370053 | 0.38374665 |
| 0.45452127 | 0.40350742 | 0.40078521 | 0.38884078 | 0.36414993 | 0.34224463 | 0.32881545 | 0.32505856 | 0.38532084 |
| 0.45706050 | 0.40505940 | 0.40232894 | 0.39035302 | 0.36559778 | 0.34362833 | 0.33015489 | 0.32638492 | 0.38685658 |
| 0.45959972 | 0.40656956 | 0.40383113 | 0.39182522 | 0.36700895 | 0.34497829 | 0.33146227 | 0.32767967 | 0.38835396 |
| 0.46213895 | 0.40803803 | 0.40529192 | 0.39325751 | 0.36838356 | 0.34629461 | 0.33273769 | 0.32894293 | 0.38981310 |
| 0.46467817 | 0.40946499 | 0.40671149 | 0.39465005 | 0.36972173 | 0.34757740 | 0.33398126 | 0.33017478 | 0.39123413 |
| 0.46721740 | 0.41085062 | 0.40809001 | 0.39600300 | 0.37102361 | 0.34882678 | 0.33519309 | 0.33137534 | 0.39261719 |
| 0.46975662 | 0.41219510 | 0.40942767 | 0.39731655 | 0.37228936 | 0.35004289 | 0.33637330 | 0.33254473 | 0.39396244 |
| 0.47229585 | 0.41349864 | 0.41072468 | 0.39859089 | 0.37351913 | 0.35122588 | 0.33752203 | 0.33368309 | 0.39527003 |
| 0.47483507 | 0.41476146 | 0.41198124 | 0.39982622 | 0.37471310 | 0.35237589 | 0.33863943 | 0.33479056 | 0.39654015 |
| 0.47737430 | 0.41598378 | 0.41319759 | 0.40102276 | 0.37587147 | 0.35349309 | 0.33972564 | 0.33586728 | 0.39777297 |
| 0.47991352 | 0.41716585 | 0.41437396 | 0.40218072 | 0.37699442 | 0.35457766 | 0.34078083 | 0.33691341 | 0.39896870 |
| 0.48245275 | 0.41830791 | 0.41551060 | 0.40330035 | 0.37808216 | 0.35562977 | 0.34180516 | 0.33792913 | 0.40012754 |
| 0.48499197 | 0.41941022 | 0.41660777 | 0.40438189 | 0.37913491 | 0.35664962 | 0.34279882 | 0.33891460 | 0.40124971 |
| 0.48753120 | 0.42047306 | 0.41766573 | 0.40542560 | 0.38015288 | 0.35763740 | 0.34376199 | 0.33987001 | 0.40233543 |
| 0.49007042 | 0.42149670 | 0.41868477 | 0.40643174 | 0.38113631 | 0.35859332 | 0.34469486 | 0.34079555 | 0.40338494 |
| 0.49260965 | 0.42248144 | 0.41966517 | 0.40740057 | 0.38208545 | 0.35951759 | 0.34559763 | 0.34169141 | 0.40439847 |
| 0.49514887 | 0.42342756 | 0.42060722 | 0.40833239 | 0.38300052 | 0.36041043 | 0.34647051 | 0.34255780 | 0.40537628 |
| 0.49768810 | 0.42433537 | 0.42151122 | 0.40922748 | 0.38388180 | 0.36127207 | 0.34731371 | 0.34339492 | 0.40631861 |
| 0.50022732 | 0.42520518 | 0.42237749 | 0.41008613 | 0.38472954 | 0.36210274 | 0.34812745 | 0.34420298 | 0.40722575 |
| 0.50276655 | 0.42603732 | 0.42320635 | 0.41090865 | 0.38554400 | 0.36290269 | 0.34891196 | 0.34498222 | 0.40809794 |
| 0.50530577 | 0.42683211 | 0.42399811 | 0.41169535 | 0.38632547 | 0.36367214 | 0.34966745 | 0.34573286 | 0.40893549 |
| 0.50784500 | 0.42758988 | 0.42475311 | 0.41244653 | 0.38707421 | 0.36441136 | 0.35039417 | 0.34645512 | 0.40973865 |
| 0.51038422 | 0.42831096 | 0.42547168 | 0.41316253 | 0.38779052 | 0.36512060 | 0.35109236 | 0.34714924 | 0.41050774 |
| 0.51292345 | 0.42899572 | 0.42615417 | 0.41384366 | 0.38847468 | 0.36580012 | 0.35176225 | 0.34781546 | 0.41124303 |
| 0.51546267 | 0.42964448 | 0.42680091 | 0.41449027 | 0.38912699 | 0.36645017 | 0.35240411 | 0.34845403 | 0.41194482 |
| 0.51800190 | 0.43025761 | 0.42741227 | 0.41510268 | 0.38974775 | 0.36707104 | 0.35301817 | 0.34906519 | 0.41261343 |
| 0.52054112 | 0.43083547 | 0.42798860 | 0.41568124 | 0.39033726 | 0.36766300 | 0.35360470 | 0.34964920 | 0.41324916 |
| 0.52308035 | 0.43137841 | 0.42853026 | 0.41622629 | 0.39089582 | 0.36822631 | 0.35416396 | 0.35020631 | 0.41385233 |
| 0.52561957 | 0.43188682 | 0.42903762 | 0.41673818 | 0.39142376 | 0.36876125 | 0.35469621 | 0.35073678 | 0.41442324 |
| 0.52815880 | 0.43236105 | 0.42951104 | 0.41721726 | 0.39192137 | 0.36926812 | 0.35520171 | 0.35124087 | 0.41496222 |
| 0.53069802 | 0.43280148 | 0.42995089 | 0.41766389 | 0.39238899 | 0.36974719 | 0.35568073 | 0.35171884 | 0.41546959 |
| 0.53323725 | 0.43320849 | 0.43035756 | 0.41807842 | 0.39282692 | 0.37019876 | 0.35613355 | 0.35217097 | 0.41594567 |
| 0.53577647 | 0.43358245 | 0.43073141 | 0.41846122 | 0.39323550 | 0.37062311 | 0.35656043 | 0.35259751 | 0.41639081 |
| 0.53831570 | 0.43392375 | 0.43107282 | 0.41881265 | 0.39361504 | 0.37102053 | 0.35696165 | 0.35299874 | 0.41680532 |
| 0.54085492 | 0.43423278 | 0.43138218 | 0.41913308 | 0.39396587 | 0.37139132 | 0.35733750 | 0.35337494 | 0.41718954 |
| 0.54339415 | 0.43450992 | 0.43165988 | 0.41942287 | 0.39428833 | 0.37173578 | 0.35768824 | 0.35372638 | 0.41754381 |
| 0.54593337 | 0.43475555 | 0.43190628 | 0.41968239 | 0.39458273 | 0.37205420 | 0.35801416 | 0.35405333 | 0.41786847 |
| 0.54847260 | 0.43497006 | 0.43212179 | 0.41991201 | 0.39484942 | 0.37234688 | 0.35831553 | 0.35435607 | 0.41816384 |
| 0.55101182 | 0.43515386 | 0.43230679 | 0.42011210 | 0.39508872 | 0.37261413 | 0.35859265 | 0.35463488 | 0.41843028 |
| 0.55355105 | 0.43530731 | 0.43246166 | 0.42028303 | 0.39530096 | 0.37285623 | 0.35884580 | 0.35489003 | 0.41866812 |
| 0.55609027 | 0.43543083 | 0.43258680 | 0.42042519 | 0.39548649 | 0.37307350 | 0.35907525 | 0.35512182 | 0.41887771 |
| 0.55862950 | 0.43552479 | 0.43268260 | 0.42053893 | 0.39564563 | 0.37326624 | 0.35928130 | 0.35533051 | 0.41905938 |
| 0.56116872 | 0.43558959 | 0.43274944 | 0.42062463 | 0.39577873 | 0.37343474 | 0.35946422 | 0.35551638 | 0.41921349 |
| 0.56370795 | 0.43562562 | 0.43278771 | 0.42068267 | 0.39588611 | 0.37357931 | 0.35962431 | 0.35567973 | 0.41934037 |
| 0.56624717 | 0.43563328 | 0.43279780 | 0.42071342 | 0.39596811 | 0.37370026 | 0.35976185 | 0.35582083 | 0.41944037 |
| 0.56878640 | 0.43561295 | 0.43278010 | 0.42071725 | 0.39602506 | 0.37379788 | 0.35987713 | 0.35593995 | 0.41951383 |
| 0.57132562 | 0.43556502 | 0.43273500 | 0.42069453 | 0.39605731 | 0.37387248 | 0.35997043 | 0.35603739 | 0.41956109 |
| 0.57386485 | 0.43548989 | 0.43266289 | 0.42064564 | 0.39606518 | 0.37392436 | 0.36004203 | 0.35611342 | 0.41958250 |
| 0.57640407 | 0.43538795 | 0.43256415 | 0.42057094 | 0.39604901 | 0.37395383 | 0.36009221 | 0.35616832 | 0.41957840 |
| 0.57894330 | 0.43525957 | 0.43243916 | 0.42047081 | 0.39600912 | 0.37396117 | 0.36012128 | 0.35620237 | 0.41954913 |
| 0.58148252 | 0.43510515 | 0.43228832 | 0.42034561 | 0.39594586 | 0.37394670 | 0.36012949 | 0.35621585 | 0.41949503 |
| 0.58402175 | 0.43492508 | 0.43211199 | 0.42019571 | 0.39585954 | 0.37391071 | 0.36011715 | 0.35620904 | 0.41941645 |
| 0.58656097 | 0.43471973 | 0.43191058 | 0.42002147 | 0.39575051 | 0.37385349 | 0.36008453 | 0.35618221 | 0.41931371 |
| 0.58910020 | 0.43448948 | 0.43168444 | 0.41982327 | 0.39561909 | 0.37377536 | 0.36003190 | 0.35613564 | 0.41918717 |
| 0.59163942 | 0.43423473 | 0.43143397 | 0.41960146 | 0.39546560 | 0.37367660 | 0.35995955 | 0.35606960 | 0.41903714 |
| 0.59417865 | 0.43395584 | 0.43115953 | 0.41935640 | 0.39529037 | 0.37355750 | 0.35986776 | 0.35598438 | 0.41886398 |
| 0.59671787 | 0.43365319 | 0.43086150 | 0.41908845 | 0.39509372 | 0.37341837 | 0.35975681 | 0.35588023 | 0.41866801 |
| 0.59925710 | 0.43332715 | 0.43054025 | 0.41879797 | 0.39487598 | 0.37325948 | 0.35962696 | 0.35575743 | 0.41844956 |
| 0.60179632 | 0.43297810 | 0.43019615 | 0.41848532 | 0.39463746 | 0.37308114 | 0.35947849 | 0.35561626 | 0.41820896 |
| 0.60433555 | 0.43260641 | 0.42982957 | 0.41815084 | 0.39437849 | 0.37288362 | 0.35931167 | 0.35545697 | 0.41794655 |
| 0.60687477 | 0.43221243 | 0.42944087 | 0.41779488 | 0.39409937 | 0.37266723 | 0.35912679 | 0.35527984 | 0.41766264 |
| 0.60941400 | 0.43179655 | 0.42903041 | 0.41741779 | 0.39380043 | 0.37243223 | 0.35892409 | 0.35508512 | 0.41735757 |
| 0.61195322 | 0.43135911 | 0.42859855 | 0.41701992 | 0.39348197 | 0.37217892 | 0.35870385 | 0.35487309 | 0.41703165 |
| 0.61449245 | 0.43090048 | 0.42814565 | 0.41660161 | 0.39314430 | 0.37190757 | 0.35846634 | 0.35464400 | 0.41668520 |
| 0.61703167 | 0.43042101 | 0.42767206 | 0.41616320 | 0.39278774 | 0.37161846 | 0.35821182 | 0.35439811 | 0.41631855 |
| 0.61957090 | 0.42992105 | 0.42717813 | 0.41570503 | 0.39241258 | 0.37131188 | 0.35794055 | 0.35413569 | 0.41593200 |
| 0.62211012 | 0.42940096 | 0.42666421 | 0.41522743 | 0.39201913 | 0.37098809 | 0.35765278 | 0.35385697 | 0.41552587 |
| 0.62464935 | 0.42886108 | 0.42613065 | 0.41473072 | 0.39160768 | 0.37064737 | 0.35734879 | 0.35356223 | 0.41510048 |
| 0.62718857 | 0.42830176 | 0.42557778 | 0.41421525 | 0.39117854 | 0.37028998 | 0.35702881 | 0.35325171 | 0.41465612 |
| 0.62972780 | 0.42772334 | 0.42500595 | 0.41368134 | 0.39073201 | 0.36991620 | 0.35669311 | 0.35292565 | 0.41419310 |
| 0.63226702 | 0.42712616 | 0.42441549 | 0.41312931 | 0.39026836 | 0.36952630 | 0.35634194 | 0.35258432 | 0.41371174 |
| 0.63480625 | 0.42651054 | 0.42380674 | 0.41255948 | 0.38978790 | 0.36912052 | 0.35597554 | 0.35222794 | 0.41321232 |
| 0.63734547 | 0.42587683 | 0.42318001 | 0.41197216 | 0.38929091 | 0.36869915 | 0.35559417 | 0.35185677 | 0.41269515 |
| 0.63988470 | 0.42522535 | 0.42253565 | 0.41136767 | 0.38877768 | 0.36826243 | 0.35519806 | 0.35147104 | 0.41216052 |
| 0.64242392 | 0.42455642 | 0.42187397 | 0.41074633 | 0.38824848 | 0.36781062 | 0.35478746 | 0.35107100 | 0.41160873 |
| 0.64496315 | 0.42387038 | 0.42119530 | 0.41010843 | 0.38770359 | 0.36734398 | 0.35436260 | 0.35065688 | 0.41104006 |
| 0.64750237 | 0.42316753 | 0.42049994 | 0.40945429 | 0.38714330 | 0.36686275 | 0.35392374 | 0.35022891 | 0.41045481 |
| 0.65004160 | 0.42244819 | 0.41978822 | 0.40878420 | 0.38656788 | 0.36636720 | 0.35347110 | 0.34978733 | 0.40985325 |
| 0.65258082 | 0.42171268 | 0.41906044 | 0.40809846 | 0.38597759 | 0.36585755 | 0.35300491 | 0.34933236 | 0.40923567 |
| 0.65512005 | 0.42096130 | 0.41831690 | 0.40739738 | 0.38537270 | 0.36533406 | 0.35252540 | 0.34886423 | 0.40860235 |
| 0.65765927 | 0.42019436 | 0.41755792 | 0.40668123 | 0.38475348 | 0.36479697 | 0.35203281 | 0.34838318 | 0.40795356 |
| 0.66019850 | 0.41941216 | 0.41678379 | 0.40595031 | 0.38412020 | 0.36424651 | 0.35152736 | 0.34788941 | 0.40728958 |
| 0.66273772 | 0.41861500 | 0.41599481 | 0.40520490 | 0.38347311 | 0.36368293 | 0.35100927 | 0.34738315 | 0.40661068 |
| 0.66527695 | 0.41780318 | 0.41519127 | 0.40444528 | 0.38281246 | 0.36310646 | 0.35047877 | 0.34686461 | 0.40591713 |
| 0.66781617 | 0.41697697 | 0.41437346 | 0.40367175 | 0.38213852 | 0.36251733 | 0.34993607 | 0.34633403 | 0.40520918 |
| 0.67035540 | 0.41613669 | 0.41354167 | 0.40288456 | 0.38145152 | 0.36191576 | 0.34938139 | 0.34579159 | 0.40448711 |
| 0.67289462 | 0.41528260 | 0.41269618 | 0.40208399 | 0.38075173 | 0.36130199 | 0.34881494 | 0.34523753 | 0.40375118 |
| 0.67543385 | 0.41441499 | 0.41183726 | 0.40127032 | 0.38003939 | 0.36067624 | 0.34823694 | 0.34467204 | 0.40300163 |
| 0.67797307 | 0.41353414 | 0.41096521 | 0.40044380 | 0.37931473 | 0.36003873 | 0.34764759 | 0.34409533 | 0.40223873 |
| 0.68051230 | 0.41264032 | 0.41008028 | 0.39960470 | 0.37857800 | 0.35938968 | 0.34704711 | 0.34350761 | 0.40146272 |
| 0.68305152 | 0.41173381 | 0.40918275 | 0.39875329 | 0.37782944 | 0.35872930 | 0.34643569 | 0.34290907 | 0.40067385 |
| 0.68559075 | 0.41081487 | 0.40827289 | 0.39788981 | 0.37706928 | 0.35805781 | 0.34581354 | 0.34229992 | 0.39987238 |
| 0.68812997 | 0.40988377 | 0.40735095 | 0.39701452 | 0.37629774 | 0.35737542 | 0.34518086 | 0.34168035 | 0.39905853 |
| 0.69066920 | 0.40894077 | 0.40641720 | 0.39612767 | 0.37551507 | 0.35668235 | 0.34453784 | 0.34105056 | 0.39823255 |
| 0.69320842 | 0.40798612 | 0.40547190 | 0.39522950 | 0.37472148 | 0.35597878 | 0.34388469 | 0.34041074 | 0.39739468 |
| 0.69574765 | 0.40702009 | 0.40451529 | 0.39432027 | 0.37391719 | 0.35526494 | 0.34322159 | 0.33976108 | 0.39654516 |
| 0.69828687 | 0.40604293 | 0.40354763 | 0.39340021 | 0.37310243 | 0.35454102 | 0.34254873 | 0.33910177 | 0.39568420 |
| 0.70082610 | 0.40505487 | 0.40256916 | 0.39246956 | 0.37227742 | 0.35380721 | 0.34186631 | 0.33843299 | 0.39481205 |
| 0.70336532 | 0.40405618 | 0.40158013 | 0.39152856 | 0.37144237 | 0.35306373 | 0.34117451 | 0.33775493 | 0.39392893 |
| 0.70590455 | 0.40304708 | 0.40058077 | 0.39057742 | 0.37059749 | 0.35231075 | 0.34047351 | 0.33706777 | 0.39303505 |
| 0.70844377 | 0.40202783 | 0.39957133 | 0.38961640 | 0.36974299 | 0.35154848 | 0.33976350 | 0.33637168 | 0.39213065 |
| 0.71098300 | 0.40099864 | 0.39855204 | 0.38864570 | 0.36887908 | 0.35077710 | 0.33904465 | 0.33566685 | 0.39121594 |
| 0.71352222 | 0.39995977 | 0.39752313 | 0.38766556 | 0.36800596 | 0.34999680 | 0.33831715 | 0.33495344 | 0.39029114 |
| 0.71606145 | 0.39891143 | 0.39648483 | 0.38667619 | 0.36712383 | 0.34920777 | 0.33758116 | 0.33423164 | 0.38935646 |
| 0.71860067 | 0.39785386 | 0.39543735 | 0.38567781 | 0.36623290 | 0.34841018 | 0.33683686 | 0.33350160 | 0.38841210 |
| 0.72113990 | 0.39678728 | 0.39438094 | 0.38467063 | 0.36533335 | 0.34760422 | 0.33608443 | 0.33276351 | 0.38745828 |
| 0.72367912 | 0.39571190 | 0.39331579 | 0.38365486 | 0.36442539 | 0.34679007 | 0.33532402 | 0.33201752 | 0.38649521 |
| 0.72621835 | 0.39462795 | 0.39224213 | 0.38263072 | 0.36350920 | 0.34596789 | 0.33455581 | 0.33126380 | 0.38552308 |
| 0.72875757 | 0.39353563 | 0.39116018 | 0.38159841 | 0.36258497 | 0.34513788 | 0.33377996 | 0.33050251 | 0.38454209 |
| 0.73129680 | 0.39243517 | 0.39007014 | 0.38055813 | 0.36165290 | 0.34430018 | 0.33299663 | 0.32973381 | 0.38355245 |
| 0.73383602 | 0.39132677 | 0.38897221 | 0.37951008 | 0.36071315 | 0.34345499 | 0.33220599 | 0.32895786 | 0.38255434 |
| 0.73637525 | 0.39021064 | 0.38786661 | 0.37845446 | 0.35976592 | 0.34260246 | 0.33140819 | 0.32817482 | 0.38154797 |
| 0.73891447 | 0.38908698 | 0.38675354 | 0.37739146 | 0.35881139 | 0.34174275 | 0.33060338 | 0.32738484 | 0.38053351 |
| 0.74145370 | 0.38795598 | 0.38563318 | 0.37632127 | 0.35784973 | 0.34087604 | 0.32979173 | 0.32658807 | 0.37951117 |
| 0.74399292 | 0.38681786 | 0.38450575 | 0.37524409 | 0.35688111 | 0.34000248 | 0.32897339 | 0.32578466 | 0.37848112 |
| 0.74653215 | 0.38567279 | 0.38337143 | 0.37416010 | 0.35590571 | 0.33912222 | 0.32814850 | 0.32497476 | 0.37744355 |
| 0.74907137 | 0.38452098 | 0.38223042 | 0.37306948 | 0.35492370 | 0.33823544 | 0.32731722 | 0.32415852 | 0.37639864 |
| 0.75161060 | 0.38336262 | 0.38108290 | 0.37197242 | 0.35393524 | 0.33734228 | 0.32647968 | 0.32333608 | 0.37534657 |
| 0.75414982 | 0.38219789 | 0.37992905 | 0.37086910 | 0.35294050 | 0.33644289 | 0.32563605 | 0.32250758 | 0.37428751 |
| 0.75668905 | 0.38102697 | 0.37876907 | 0.36975968 | 0.35193965 | 0.33553743 | 0.32478645 | 0.32167317 | 0.37322164 |
| 0.75922827 | 0.37985005 | 0.37760313 | 0.36864436 | 0.35093285 | 0.33462604 | 0.32393104 | 0.32083299 | 0.37214914 |
| 0.76176750 | 0.37866731 | 0.37643140 | 0.36752329 | 0.34992025 | 0.33370887 | 0.32306995 | 0.31998716 | 0.37107016 |
| 0.76430672 | 0.37747892 | 0.37525407 | 0.36639665 | 0.34890201 | 0.33278607 | 0.32220331 | 0.31913584 | 0.36998489 |
| 0.76684595 | 0.37628506 | 0.37407131 | 0.36526460 | 0.34787828 | 0.33185778 | 0.32133127 | 0.31827914 | 0.36889348 |
| 0.76938517 | 0.37508590 | 0.37288328 | 0.36412732 | 0.34684923 | 0.33092415 | 0.32045396 | 0.31741721 | 0.36779610 |
| 0.77192440 | 0.37388161 | 0.37169016 | 0.36298495 | 0.34581499 | 0.32998530 | 0.31957151 | 0.31655018 | 0.36669292 |
| 0.77446362 | 0.37267235 | 0.37049211 | 0.36183767 | 0.34477573 | 0.32904138 | 0.31868405 | 0.31567817 | 0.36558408 |
| 0.77700285 | 0.37145830 | 0.36928930 | 0.36068563 | 0.34373157 | 0.32809253 | 0.31779171 | 0.31480131 | 0.36446975 |
| 0.77954207 | 0.37023961 | 0.36808188 | 0.35952898 | 0.34268268 | 0.32713887 | 0.31689463 | 0.31391972 | 0.36335008 |
| 0.78208130 | 0.36901644 | 0.36687001 | 0.35836788 | 0.34162919 | 0.32618055 | 0.31599292 | 0.31303354 | 0.36222524 |
| 0.78462052 | 0.36778896 | 0.36565386 | 0.35720249 | 0.34057125 | 0.32521769 | 0.31508671 | 0.31214289 | 0.36109536 |
| 0.78715975 | 0.36655731 | 0.36443357 | 0.35603294 | 0.33950899 | 0.32425043 | 0.31417612 | 0.31124788 | 0.35996060 |
| 0.78969897 | 0.36532166 | 0.36320931 | 0.35485940 | 0.33844255 | 0.32327888 | 0.31326128 | 0.31034863 | 0.35882111 |
| 0.79223820 | 0.36408215 | 0.36198121 | 0.35368199 | 0.33737206 | 0.32230318 | 0.31234230 | 0.30944527 | 0.35767703 |
| 0.79477742 | 0.36283893 | 0.36074942 | 0.35250087 | 0.33629767 | 0.32132345 | 0.31141931 | 0.30853791 | 0.35652851 |
| 0.79731665 | 0.36159215 | 0.35951410 | 0.35131618 | 0.33521949 | 0.32033981 | 0.31049241 | 0.30762666 | 0.35537569 |
| 0.79985587 | 0.36034196 | 0.35827539 | 0.35012806 | 0.33413767 | 0.31935239 | 0.30956173 | 0.30671164 | 0.35421871 |
| 0.80239510 | 0.35908849 | 0.35703342 | 0.34893664 | 0.33305233 | 0.31836130 | 0.30862738 | 0.30579297 | 0.35305771 |
| 0.80493432 | 0.35783190 | 0.35578835 | 0.34774206 | 0.33196359 | 0.31736667 | 0.30768948 | 0.30487074 | 0.35189283 |
| 0.80747355 | 0.35657231 | 0.35454030 | 0.34654446 | 0.33087159 | 0.31636860 | 0.30674812 | 0.30394508 | 0.35072420 |
| 0.81001277 | 0.35530987 | 0.35328941 | 0.34534395 | 0.32977644 | 0.31536722 | 0.30580343 | 0.30301609 | 0.34955196 |
| 0.81255200 | 0.35404471 | 0.35203582 | 0.34414069 | 0.32867827 | 0.31436264 | 0.30485551 | 0.30208387 | 0.34837623 |
| 0.81509122 | 0.35277696 | 0.35077966 | 0.34293479 | 0.32757719 | 0.31335497 | 0.30390447 | 0.30114854 | 0.34719715 |
| 0.81763045 | 0.35150676 | 0.34952105 | 0.34172638 | 0.32647333 | 0.31234432 | 0.30295041 | 0.30021020 | 0.34601485 |
| 0.82016967 | 0.35023424 | 0.34826014 | 0.34051558 | 0.32536681 | 0.31133080 | 0.30199345 | 0.29926895 | 0.34482946 |
| 0.82270890 | 0.34895952 | 0.34699704 | 0.33930252 | 0.32425773 | 0.31031452 | 0.30103367 | 0.29832488 | 0.34364110 |
| 0.82524812 | 0.34768273 | 0.34573188 | 0.33808731 | 0.32314621 | 0.30929559 | 0.30007119 | 0.29737812 | 0.34244989 |
| 0.82778735 | 0.34640400 | 0.34446478 | 0.33687009 | 0.32203237 | 0.30827412 | 0.29910611 | 0.29642874 | 0.34125596 |
| 0.83032657 | 0.34512344 | 0.34319587 | 0.33565096 | 0.32091632 | 0.30725019 | 0.29813852 | 0.29547685 | 0.34005942 |
| 0.83286580 | 0.34384118 | 0.34192526 | 0.33443004 | 0.31979816 | 0.30622393 | 0.29716852 | 0.29452256 | 0.33886041 |
| 0.83540502 | 0.34255734 | 0.34065307 | 0.33320745 | 0.31867800 | 0.30519543 | 0.29619622 | 0.29356594 | 0.33765903 |
| 0.83794425 | 0.34127204 | 0.33937942 | 0.33198330 | 0.31755596 | 0.30416479 | 0.29522170 | 0.29260710 | 0.33645540 |
| 0.84048347 | 0.33998538 | 0.33810443 | 0.33075770 | 0.31643213 | 0.30313211 | 0.29424506 | 0.29164613 | 0.33524964 |
| 0.84302270 | 0.33869749 | 0.33682821 | 0.32953076 | 0.31530662 | 0.30209749 | 0.29326639 | 0.29068313 | 0.33404186 |
| 0.84556192 | 0.33740848 | 0.33555086 | 0.32830259 | 0.31417953 | 0.30106103 | 0.29228580 | 0.28971818 | 0.33283217 |
| 0.84810115 | 0.33611846 | 0.33427250 | 0.32707330 | 0.31305097 | 0.30002281 | 0.29130336 | 0.28875137 | 0.33162069 |
| 0.85064037 | 0.33482754 | 0.33299324 | 0.32584299 | 0.31192102 | 0.29898294 | 0.29031917 | 0.28778280 | 0.33040752 |
| 0.85317960 | 0.33353582 | 0.33171319 | 0.32461176 | 0.31078980 | 0.29794151 | 0.28933331 | 0.28681255 | 0.32919277 |
| 0.85571882 | 0.33224342 | 0.33043245 | 0.32337973 | 0.30965740 | 0.29689861 | 0.28834588 | 0.28584071 | 0.32797655 |
| 0.85825805 | 0.33095044 | 0.32915112 | 0.32214698 | 0.30852392 | 0.29585433 | 0.28735697 | 0.28486736 | 0.32675897 |
| 0.86079727 | 0.32965698 | 0.32786930 | 0.32091362 | 0.30738944 | 0.29480877 | 0.28636665 | 0.28389259 | 0.32554012 |
| 0.86333650 | 0.32836314 | 0.32658711 | 0.31967974 | 0.30625407 | 0.29376200 | 0.28537502 | 0.28291648 | 0.32432011 |
| 0.86587572 | 0.32706903 | 0.32530463 | 0.31844546 | 0.30511789 | 0.29271412 | 0.28438215 | 0.28193912 | 0.32309905 |
| 0.86841495 | 0.32577475 | 0.32402197 | 0.31721085 | 0.30398100 | 0.29166521 | 0.28338813 | 0.28096058 | 0.32187703 |
| 0.87095417 | 0.32448038 | 0.32273923 | 0.31597601 | 0.30284349 | 0.29061536 | 0.28239305 | 0.27998095 | 0.32065414 |
| 0.87349340 | 0.32318604 | 0.32145649 | 0.31474105 | 0.30170544 | 0.28956465 | 0.28139698 | 0.27900031 | 0.31943050 |
| 0.87603262 | 0.32189181 | 0.32017386 | 0.31350604 | 0.30056694 | 0.28851317 | 0.28040000 | 0.27801874 | 0.31820620 |
| 0.87857185 | 0.32059779 | 0.31889142 | 0.31227108 | 0.29942809 | 0.28746100 | 0.27940219 | 0.27703631 | 0.31698132 |
| 0.88111107 | 0.31930407 | 0.31760927 | 0.31103625 | 0.29828896 | 0.28640822 | 0.27840363 | 0.27605310 | 0.31575597 |
| 0.88365030 | 0.31801074 | 0.31632750 | 0.30980166 | 0.29714964 | 0.28535491 | 0.27740440 | 0.27506918 | 0.31453023 |
| 0.88618952 | 0.31671789 | 0.31504619 | 0.30856738 | 0.29601020 | 0.28430114 | 0.27640457 | 0.27408464 | 0.31330421 |
| 0.88872875 | 0.31542562 | 0.31376544 | 0.30733349 | 0.29487075 | 0.28324701 | 0.27540422 | 0.27309955 | 0.31207799 |
| 0.89126797 | 0.31413400 | 0.31248533 | 0.30610009 | 0.29373135 | 0.28219258 | 0.27440342 | 0.27211397 | 0.31085165 |
| 0.89380720 | 0.31284312 | 0.31120595 | 0.30486725 | 0.29259208 | 0.28113792 | 0.27340224 | 0.27112799 | 0.30962529 |
| 0.89634642 | 0.31155308 | 0.30992738 | 0.30363506 | 0.29145302 | 0.28008313 | 0.27240076 | 0.27014167 | 0.30839900 |
| 0.89888565 | 0.31026394 | 0.30864970 | 0.30240360 | 0.29031426 | 0.27902827 | 0.27139906 | 0.26915508 | 0.30717286 |
| 0.90142487 | 0.30897580 | 0.30737300 | 0.30117294 | 0.28917586 | 0.27797340 | 0.27039718 | 0.26816830 | 0.30594695 |
| 0.90396410 | 0.30768874 | 0.30609735 | 0.29994317 | 0.28803790 | 0.27691862 | 0.26939522 | 0.26718139 | 0.30472136 |
| 0.90650332 | 0.30640283 | 0.30482284 | 0.29871437 | 0.28690047 | 0.27586398 | 0.26839324 | 0.26619442 | 0.30349617 |
| 0.90904255 | 0.30511816 | 0.30354953 | 0.29748660 | 0.28576362 | 0.27480956 | 0.26739130 | 0.26520745 | 0.30227147 |
| 0.91158177 | 0.30383480 | 0.30227752 | 0.29625995 | 0.28462743 | 0.27375543 | 0.26638948 | 0.26422056 | 0.30104733 |
| 0.91412100 | 0.30255282 | 0.30100687 | 0.29503448 | 0.28349198 | 0.27270165 | 0.26538784 | 0.26323381 | 0.29982383 |
| 0.91666022 | 0.30127232 | 0.29973767 | 0.29381028 | 0.28235734 | 0.27164830 | 0.26438644 | 0.26224726 | 0.29860106 |
| 0.91919945 | 0.29999335 | 0.29846997 | 0.29258740 | 0.28122357 | 0.27059544 | 0.26338535 | 0.26126099 | 0.29737908 |
| 0.92173867 | 0.29871599 | 0.29720387 | 0.29136594 | 0.28009075 | 0.26954314 | 0.26238463 | 0.26027504 | 0.29615798 |
| 0.92427790 | 0.29744032 | 0.29593942 | 0.29014594 | 0.27895893 | 0.26849146 | 0.26138435 | 0.25928948 | 0.29493783 |
| 0.92681712 | 0.29616640 | 0.29467669 | 0.28892749 | 0.27782819 | 0.26744047 | 0.26038457 | 0.25830438 | 0.29371870 |
| 0.92935635 | 0.29489431 | 0.29341577 | 0.28771065 | 0.27669860 | 0.26639023 | 0.25938535 | 0.25731980 | 0.29250067 |
| 0.93189557 | 0.29362411 | 0.29215671 | 0.28649548 | 0.27557022 | 0.26534080 | 0.25838675 | 0.25633578 | 0.29128381 |
| 0.93443480 | 0.29235587 | 0.29089958 | 0.28528205 | 0.27444310 | 0.26429225 | 0.25738883 | 0.25535241 | 0.29006819 |
| 0.93697402 | 0.29108966 | 0.28964445 | 0.28407043 | 0.27331733 | 0.26324464 | 0.25639165 | 0.25436972 | 0.28885389 |
| 0.93951325 | 0.28982555 | 0.28839138 | 0.28286068 | 0.27219295 | 0.26219802 | 0.25539526 | 0.25338779 | 0.28764096 |
| 0.94205247 | 0.28856359 | 0.28714044 | 0.28165287 | 0.27107003 | 0.26115246 | 0.25439973 | 0.25240666 | 0.28642948 |
| 0.94459170 | 0.28730386 | 0.28589169 | 0.28044705 | 0.26994863 | 0.26010801 | 0.25340512 | 0.25142640 | 0.28521952 |
| 0.94713092 | 0.28604641 | 0.28464519 | 0.27924328 | 0.26882880 | 0.25906473 | 0.25241147 | 0.25044705 | 0.28401114 |
| 0.94967015 | 0.28479130 | 0.28340101 | 0.27804163 | 0.26771062 | 0.25802269 | 0.25141885 | 0.24946868 | 0.28280441 |
| 0.95220937 | 0.28353861 | 0.28215920 | 0.27684215 | 0.26659413 | 0.25698193 | 0.25042730 | 0.24849134 | 0.28159939 |
| 0.95474860 | 0.28228838 | 0.28091982 | 0.27564490 | 0.26547939 | 0.25594251 | 0.24943688 | 0.24751507 | 0.28039615 |
| 0.95728782 | 0.28104068 | 0.27968294 | 0.27444995 | 0.26436646 | 0.25490449 | 0.24844765 | 0.24653994 | 0.27919475 |
| 0.95982705 | 0.27979556 | 0.27844860 | 0.27325734 | 0.26325539 | 0.25386792 | 0.24745966 | 0.24556599 | 0.27799524 |
| 0.96236627 | 0.27855309 | 0.27721686 | 0.27206712 | 0.26214624 | 0.25283285 | 0.24647295 | 0.24459328 | 0.27679770 |
| 0.96490550 | 0.27731331 | 0.27598779 | 0.27087937 | 0.26103906 | 0.25179934 | 0.24548759 | 0.24362185 | 0.27560218 |
| 0.96744472 | 0.27607628 | 0.27476142 | 0.26969412 | 0.25993391 | 0.25076743 | 0.24450361 | 0.24265175 | 0.27440873 |
| 0.96998395 | 0.27484205 | 0.27353783 | 0.26851143 | 0.25883083 | 0.24973718 | 0.24352107 | 0.24168305 | 0.27321743 |
| 0.97252317 | 0.27361069 | 0.27231705 | 0.26733135 | 0.25772988 | 0.24870864 | 0.24254002 | 0.24071577 | 0.27202832 |
| 0.97506240 | 0.27238223 | 0.27109915 | 0.26615393 | 0.25663110 | 0.24768186 | 0.24156050 | 0.23974997 | 0.27084146 |
| 0.97760162 | 0.27115674 | 0.26988417 | 0.26497923 | 0.25553455 | 0.24665688 | 0.24058257 | 0.23878570 | 0.26965690 |
| 0.98014085 | 0.26993425 | 0.26867216 | 0.26380729 | 0.25444027 | 0.24563375 | 0.23960626 | 0.23782300 | 0.26847471 |
| 0.98268007 | 0.26871483 | 0.26746317 | 0.26263816 | 0.25334832 | 0.24461253 | 0.23863163 | 0.23686192 | 0.26729493 |
| 0.98521930 | 0.26749852 | 0.26625726 | 0.26147188 | 0.25225874 | 0.24359325 | 0.23765873 | 0.23590250 | 0.26611762 |
| 0.98775852 | 0.26628537 | 0.26505445 | 0.26030851 | 0.25117157 | 0.24257596 | 0.23668758 | 0.23494479 | 0.26494283 |
| 0.99029775 | 0.26507542 | 0.26385481 | 0.25914809 | 0.25008686 | 0.24156071 | 0.23571824 | 0.23398882 | 0.26377060 |
| 0.99283697 | 0.26386873 | 0.26265838 | 0.25799066 | 0.24900466 | 0.24054755 | 0.23475076 | 0.23303466 | 0.26260100 |
| 0.99537620 | 0.26266533 | 0.26146520 | 0.25683627 | 0.24792501 | 0.23953651 | 0.23378517 | 0.23208232 | 0.26143407 |
| 0.99791542 | 0.26146526 | 0.26027532 | 0.25568496 | 0.24684796 | 0.23852763 | 0.23282152 | 0.23113186 | 0.26026985 |
| 1.00045460 | 0.26026859 | 0.25908878 | 0.25453678 | 0.24577354 | 0.23752097 | 0.23185984 | 0.23018332 | 0.25910840 |
| 1.00299390 | 0.25907533 | 0.25790562 | 0.25339176 | 0.24470180 | 0.23651656 | 0.23090018 | 0.22923674 | 0.25794976 |
| 1.00553310 | 0.25788555 | 0.25672588 | 0.25224994 | 0.24363277 | 0.23551444 | 0.22994258 | 0.22829215 | 0.25679398 |
| 1.00807230 | 0.25669927 | 0.25554960 | 0.25111138 | 0.24256651 | 0.23451466 | 0.22898707 | 0.22734960 | 0.25564110 |
| 1.01061150 | 0.25551654 | 0.25437683 | 0.24997609 | 0.24150304 | 0.23351724 | 0.22803370 | 0.22640912 | 0.25449117 |
| 1.01315080 | 0.25433740 | 0.25320760 | 0.24884414 | 0.24044241 | 0.23252224 | 0.22708251 | 0.22547076 | 0.25334424 |
| 1.01569000 | 0.25316189 | 0.25204196 | 0.24771554 | 0.23938466 | 0.23152968 | 0.22613352 | 0.22453454 | 0.25220033 |
| 1.01822920 | 0.25199004 | 0.25087992 | 0.24659034 | 0.23832982 | 0.23053961 | 0.22518679 | 0.22360051 | 0.25105950 |
| 1.02076840 | 0.25082189 | 0.24972155 | 0.24546858 | 0.23727793 | 0.22955207 | 0.22424233 | 0.22266869 | 0.24992179 |
| 1.02330770 | 0.24965748 | 0.24856686 | 0.24435028 | 0.23622902 | 0.22856708 | 0.22330019 | 0.22173914 | 0.24878724 |
| 1.02584690 | 0.24849684 | 0.24741590 | 0.24323549 | 0.23518314 | 0.22758469 | 0.22236041 | 0.22081187 | 0.24765588 |
| 1.02838610 | 0.24734000 | 0.24626869 | 0.24212424 | 0.23414031 | 0.22660492 | 0.22142302 | 0.21988693 | 0.24652776 |
| 1.03092530 | 0.24618701 | 0.24512528 | 0.24101656 | 0.23310057 | 0.22562782 | 0.22048804 | 0.21896434 | 0.24540292 |
| 1.03346460 | 0.24503789 | 0.24398570 | 0.23991249 | 0.23206395 | 0.22465341 | 0.21955552 | 0.21804415 | 0.24428138 |
| 1.03600380 | 0.24389267 | 0.24284997 | 0.23881205 | 0.23103048 | 0.22368173 | 0.21862549 | 0.21712637 | 0.24316319 |
| 1.03854300 | 0.24275140 | 0.24171813 | 0.23771528 | 0.23000020 | 0.22271282 | 0.21769797 | 0.21621105 | 0.24204839 |
| 1.04108220 | 0.24161409 | 0.24059020 | 0.23662221 | 0.22897314 | 0.22174669 | 0.21677300 | 0.21529821 | 0.24093701 |
| 1.04362150 | 0.24048077 | 0.23946623 | 0.23553287 | 0.22794933 | 0.22078339 | 0.21585062 | 0.21438789 | 0.23982907 |
| 1.04616070 | 0.23935149 | 0.23834624 | 0.23444728 | 0.22692880 | 0.21982294 | 0.21493084 | 0.21348011 | 0.23872463 |
| 1.04869990 | 0.23822626 | 0.23723024 | 0.23336547 | 0.22591157 | 0.21886538 | 0.21401370 | 0.21257491 | 0.23762370 |
| 1.05123910 | 0.23710511 | 0.23611829 | 0.23228748 | 0.22489768 | 0.21791073 | 0.21309923 | 0.21167230 | 0.23652632 |
| 1.05377840 | 0.23598808 | 0.23501039 | 0.23121333 | 0.22388715 | 0.21695902 | 0.21218745 | 0.21077233 | 0.23543253 |
| 1.05631760 | 0.23487518 | 0.23390658 | 0.23014304 | 0.22288001 | 0.21601028 | 0.21127840 | 0.20987501 | 0.23434235 |
| 1.05885680 | 0.23376644 | 0.23280688 | 0.22907664 | 0.22187629 | 0.21506453 | 0.21037209 | 0.20898038 | 0.23325581 |
| 1.06139600 | 0.23266189 | 0.23171132 | 0.22801416 | 0.22087602 | 0.21412180 | 0.20946857 | 0.20808846 | 0.23217294 |
| 1.06393530 | 0.23156155 | 0.23061992 | 0.22695562 | 0.21987921 | 0.21318213 | 0.20856784 | 0.20719927 | 0.23109378 |
| 1.06647450 | 0.23046545 | 0.22953270 | 0.22590104 | 0.21888589 | 0.21224553 | 0.20766995 | 0.20631285 | 0.23001834 |
| 1.06901370 | 0.22937361 | 0.22844969 | 0.22485044 | 0.21789610 | 0.21131202 | 0.20677490 | 0.20542921 | 0.22894666 |
| 1.07155290 | 0.22828605 | 0.22737091 | 0.22380386 | 0.21690984 | 0.21038164 | 0.20588274 | 0.20454838 | 0.22787876 |
| 1.07409220 | 0.22720279 | 0.22629638 | 0.22276131 | 0.21592715 | 0.20945441 | 0.20499347 | 0.20367038 | 0.22681467 |
| 1.07663140 | 0.22612385 | 0.22522613 | 0.22172280 | 0.21494804 | 0.20853035 | 0.20410712 | 0.20279524 | 0.22575441 |
| 1.07917060 | 0.22504926 | 0.22416016 | 0.22068837 | 0.21397254 | 0.20760947 | 0.20322372 | 0.20192298 | 0.22469801 |
| 1.08170980 | 0.22397903 | 0.22309850 | 0.21965803 | 0.21300067 | 0.20669182 | 0.20234329 | 0.20105362 | 0.22364548 |
| 1.08424910 | 0.22291318 | 0.22204118 | 0.21863180 | 0.21203245 | 0.20577739 | 0.20146585 | 0.20018718 | 0.22259687 |
| 1.08678830 | 0.22185173 | 0.22098820 | 0.21760970 | 0.21106789 | 0.20486623 | 0.20059142 | 0.19932368 | 0.22155217 |
| 1.08932750 | 0.22079471 | 0.21993959 | 0.21659175 | 0.21010703 | 0.20395834 | 0.19972002 | 0.19846314 | 0.22051143 |
| 1.09186670 | 0.21974211 | 0.21889536 | 0.21557796 | 0.20914987 | 0.20305374 | 0.19885167 | 0.19760559 | 0.21947466 |
| 1.09440600 | 0.21869397 | 0.21785553 | 0.21456835 | 0.20819644 | 0.20215247 | 0.19798639 | 0.19675104 | 0.21844187 |
| 1.09694520 | 0.21765030 | 0.21682012 | 0.21356294 | 0.20724675 | 0.20125452 | 0.19712419 | 0.19589952 | 0.21741309 |
| 1.09948440 | 0.21661111 | 0.21578913 | 0.21256174 | 0.20630082 | 0.20035993 | 0.19626511 | 0.19505103 | 0.21638835 |
| 1.10202360 | 0.21557641 | 0.21476259 | 0.21156476 | 0.20535867 | 0.19946871 | 0.19540915 | 0.19420559 | 0.21536765 |
| 1.10456290 | 0.21454623 | 0.21374051 | 0.21057203 | 0.20442031 | 0.19858088 | 0.19455633 | 0.19336324 | 0.21435101 |
| 1.10710210 | 0.21352058 | 0.21272291 | 0.20958356 | 0.20348576 | 0.19769645 | 0.19370667 | 0.19252397 | 0.21333846 |
| 1.10964130 | 0.21249946 | 0.21170978 | 0.20859936 | 0.20255503 | 0.19681544 | 0.19286018 | 0.19168781 | 0.21233001 |
| 1.11218050 | 0.21148289 | 0.21070116 | 0.20761943 | 0.20162814 | 0.19593787 | 0.19201689 | 0.19085477 | 0.21132567 |
| 1.11471980 | 0.21047089 | 0.20969704 | 0.20664381 | 0.20070510 | 0.19506374 | 0.19117680 | 0.19002488 | 0.21032546 |
| 1.11725900 | 0.20946346 | 0.20869745 | 0.20567248 | 0.19978592 | 0.19419308 | 0.19033993 | 0.18919813 | 0.20932940 |
| 1.11979820 | 0.20846061 | 0.20770238 | 0.20470548 | 0.19887062 | 0.19332590 | 0.18950630 | 0.18837455 | 0.20833750 |
| 1.12233740 | 0.20746236 | 0.20671186 | 0.20374280 | 0.19795921 | 0.19246221 | 0.18867592 | 0.18755416 | 0.20734977 |
| 1.12487670 | 0.20646871 | 0.20572589 | 0.20278446 | 0.19705170 | 0.19160203 | 0.18784880 | 0.18673696 | 0.20636623 |
| 1.12741590 | 0.20547968 | 0.20474448 | 0.20183047 | 0.19614811 | 0.19074537 | 0.18702495 | 0.18592297 | 0.20538689 |
| 1.12995510 | 0.20449526 | 0.20376763 | 0.20088083 | 0.19524843 | 0.18989223 | 0.18620440 | 0.18511220 | 0.20441176 |
| 1.13249430 | 0.20351548 | 0.20279536 | 0.19993556 | 0.19435269 | 0.18904264 | 0.18538714 | 0.18430466 | 0.20344086 |
| 1.13503360 | 0.20254033 | 0.20182768 | 0.19899466 | 0.19346090 | 0.18819660 | 0.18457320 | 0.18350037 | 0.20247419 |
| 1.13757280 | 0.20156983 | 0.20086458 | 0.19805814 | 0.19257305 | 0.18735413 | 0.18376258 | 0.18269933 | 0.20151177 |
| 1.14011200 | 0.20060398 | 0.19990609 | 0.19712601 | 0.19168917 | 0.18651522 | 0.18295529 | 0.18190156 | 0.20055360 |
| 1.14265120 | 0.19964278 | 0.19895219 | 0.19619827 | 0.19080926 | 0.18567991 | 0.18215135 | 0.18110707 | 0.19959970 |
| 1.14519050 | 0.19868624 | 0.19800291 | 0.19527494 | 0.18993332 | 0.18484818 | 0.18135076 | 0.18031586 | 0.19865007 |
| 1.14772970 | 0.19773437 | 0.19705824 | 0.19435600 | 0.18906138 | 0.18402006 | 0.18055354 | 0.17952795 | 0.19770472 |
| 1.15026890 | 0.19678718 | 0.19611818 | 0.19344148 | 0.18819342 | 0.18319555 | 0.17975968 | 0.17874334 | 0.19676366 |
| 1.15280810 | 0.19584465 | 0.19518275 | 0.19253138 | 0.18732946 | 0.18237465 | 0.17896921 | 0.17796205 | 0.19582690 |
| 1.15534740 | 0.19490681 | 0.19425194 | 0.19162570 | 0.18646951 | 0.18155739 | 0.17818213 | 0.17718409 | 0.19489445 |
| 1.15788660 | 0.19397364 | 0.19332577 | 0.19072444 | 0.18561356 | 0.18074375 | 0.17739845 | 0.17640945 | 0.19396630 |
| 1.16042580 | 0.19304517 | 0.19240422 | 0.18982760 | 0.18476164 | 0.17993376 | 0.17661817 | 0.17563815 | 0.19304248 |
| 1.16296500 | 0.19212137 | 0.19148731 | 0.18893520 | 0.18391373 | 0.17912741 | 0.17584130 | 0.17487019 | 0.19212297 |
| 1.16550430 | 0.19120227 | 0.19057503 | 0.18804723 | 0.18306985 | 0.17832471 | 0.17506784 | 0.17410559 | 0.19120779 |
| 1.16804350 | 0.19028785 | 0.18966739 | 0.18716369 | 0.18223000 | 0.17752568 | 0.17429782 | 0.17334435 | 0.19029694 |
| 1.17058270 | 0.18937812 | 0.18876439 | 0.18628459 | 0.18139418 | 0.17673030 | 0.17353122 | 0.17258646 | 0.18939043 |
| 1.17312190 | 0.18847309 | 0.18786602 | 0.18540993 | 0.18056240 | 0.17593859 | 0.17276806 | 0.17183195 | 0.18848826 |
| 1.17566120 | 0.18757274 | 0.18697230 | 0.18453971 | 0.17973465 | 0.17515056 | 0.17200833 | 0.17108082 | 0.18759043 |
| 1.17820040 | 0.18667709 | 0.18608321 | 0.18367392 | 0.17891095 | 0.17436620 | 0.17125206 | 0.17033306 | 0.18669694 |
| 1.18073960 | 0.18578612 | 0.18519875 | 0.18281257 | 0.17809129 | 0.17358552 | 0.17049923 | 0.16958868 | 0.18580780 |
| 1.18327880 | 0.18489984 | 0.18431894 | 0.18195567 | 0.17727567 | 0.17280852 | 0.16974985 | 0.16884770 | 0.18492302 |
| 1.18581810 | 0.18401825 | 0.18344376 | 0.18110320 | 0.17646410 | 0.17203521 | 0.16900394 | 0.16811010 | 0.18404258 |
| 1.18835730 | 0.18314134 | 0.18257321 | 0.18025516 | 0.17565657 | 0.17126559 | 0.16826148 | 0.16737590 | 0.18316649 |
| 1.19089650 | 0.18226911 | 0.18170729 | 0.17941156 | 0.17485310 | 0.17049966 | 0.16752248 | 0.16664510 | 0.18229475 |
| 1.19343570 | 0.18140157 | 0.18084600 | 0.17857240 | 0.17405367 | 0.16973741 | 0.16678695 | 0.16591770 | 0.18142737 |
| 1.19597500 | 0.18053869 | 0.17998933 | 0.17773766 | 0.17325828 | 0.16897887 | 0.16605489 | 0.16519370 | 0.18056434 |
| 1.19851420 | 0.17968049 | 0.17913728 | 0.17690736 | 0.17246695 | 0.16822401 | 0.16532630 | 0.16447311 | 0.17970566 |
| 1.20105340 | 0.17882696 | 0.17828985 | 0.17608148 | 0.17167966 | 0.16747285 | 0.16460117 | 0.16375593 | 0.17885133 |
| 1.20359260 | 0.17797809 | 0.17744704 | 0.17526002 | 0.17089641 | 0.16672539 | 0.16387952 | 0.16304215 | 0.17800135 |
| 1.20613190 | 0.17713388 | 0.17660883 | 0.17444298 | 0.17011721 | 0.16598162 | 0.16316135 | 0.16233178 | 0.17715572 |
| 1.20867110 | 0.17629433 | 0.17577523 | 0.17363036 | 0.16934204 | 0.16524155 | 0.16244664 | 0.16162482 | 0.17631443 |
| 1.21121030 | 0.17545942 | 0.17494622 | 0.17282214 | 0.16857092 | 0.16450517 | 0.16173541 | 0.16092127 | 0.17547748 |
| 1.21374950 | 0.17462916 | 0.17412181 | 0.17201833 | 0.16780383 | 0.16377249 | 0.16102765 | 0.16022114 | 0.17464487 |
| 1.21628880 | 0.17380353 | 0.17330198 | 0.17121892 | 0.16704077 | 0.16304350 | 0.16032337 | 0.15952441 | 0.17381660 |
| 1.21882800 | 0.17298254 | 0.17248674 | 0.17042391 | 0.16628174 | 0.16231820 | 0.15962256 | 0.15883109 | 0.17299266 |
| 1.22136720 | 0.17216617 | 0.17167607 | 0.16963329 | 0.16552674 | 0.16159659 | 0.15892522 | 0.15814118 | 0.17217305 |
| 1.22390640 | 0.17135441 | 0.17086997 | 0.16884705 | 0.16477576 | 0.16087866 | 0.15823135 | 0.15745468 | 0.17135777 |
| 1.22644570 | 0.17054727 | 0.17006843 | 0.16806519 | 0.16402880 | 0.16016442 | 0.15754095 | 0.15677159 | 0.17054680 |
| 1.22898490 | 0.16974473 | 0.16927144 | 0.16728770 | 0.16328585 | 0.15945387 | 0.15685401 | 0.15609190 | 0.16974015 |
| 1.23152410 | 0.16894679 | 0.16847900 | 0.16651458 | 0.16254692 | 0.15874699 | 0.15617055 | 0.15541562 | 0.16893781 |
| 1.23406330 | 0.16815343 | 0.16769110 | 0.16574581 | 0.16181198 | 0.15804378 | 0.15549054 | 0.15474273 | 0.16813977 |
| 1.23660260 | 0.16736465 | 0.16690773 | 0.16498139 | 0.16108105 | 0.15734425 | 0.15481399 | 0.15407325 | 0.16734603 |
| 1.23914180 | 0.16658044 | 0.16612887 | 0.16422132 | 0.16035410 | 0.15664839 | 0.15414090 | 0.15340716 | 0.16655659 |
| 1.24168100 | 0.16580079 | 0.16535453 | 0.16346558 | 0.15963115 | 0.15595619 | 0.15347127 | 0.15274446 | 0.16577142 |
| 1.24422020 | 0.16502569 | 0.16458470 | 0.16271417 | 0.15891217 | 0.15526765 | 0.15280508 | 0.15208516 | 0.16499054 |
| 1.24675950 | 0.16425513 | 0.16381936 | 0.16196708 | 0.15819717 | 0.15458277 | 0.15214234 | 0.15142924 | 0.16421393 |
| 1.24929870 | 0.16348911 | 0.16305850 | 0.16122430 | 0.15748614 | 0.15390153 | 0.15148304 | 0.15077670 | 0.16344158 |
| 1.25183790 | 0.16272761 | 0.16230212 | 0.16048582 | 0.15677907 | 0.15322394 | 0.15082719 | 0.15012754 | 0.16267349 |
| 1.25437710 | 0.16197062 | 0.16155020 | 0.15975163 | 0.15607596 | 0.15254999 | 0.15017476 | 0.14948176 | 0.16190965 |
| 1.25691640 | 0.16121813 | 0.16080274 | 0.15902172 | 0.15537679 | 0.15187968 | 0.14952577 | 0.14883934 | 0.16115004 |
| 1.25945560 | 0.16047014 | 0.16005972 | 0.15829609 | 0.15468156 | 0.15121299 | 0.14888020 | 0.14820030 | 0.16039467 |
| 1.26199480 | 0.15972662 | 0.15932114 | 0.15757472 | 0.15399026 | 0.15054993 | 0.14823805 | 0.14756461 | 0.15964353 |
| 1.26453400 | 0.15898758 | 0.15858698 | 0.15685760 | 0.15330289 | 0.14989048 | 0.14759931 | 0.14693228 | 0.15889659 |
| 1.26707330 | 0.15825299 | 0.15785723 | 0.15614473 | 0.15261943 | 0.14923464 | 0.14696398 | 0.14630330 | 0.15815387 |
| 1.26961250 | 0.15752284 | 0.15713188 | 0.15543609 | 0.15193988 | 0.14858241 | 0.14633206 | 0.14567766 | 0.15741534 |
| 1.27215170 | 0.15679714 | 0.15641092 | 0.15473167 | 0.15126423 | 0.14793377 | 0.14570353 | 0.14505536 | 0.15668099 |
| 1.27469090 | 0.15607585 | 0.15569433 | 0.15403147 | 0.15059247 | 0.14728872 | 0.14507839 | 0.14443640 | 0.15595082 |
| 1.27723020 | 0.15535897 | 0.15498211 | 0.15333546 | 0.14992458 | 0.14664725 | 0.14445664 | 0.14382076 | 0.15522482 |
| 1.27976940 | 0.15464649 | 0.15427424 | 0.15264364 | 0.14926057 | 0.14600935 | 0.14383826 | 0.14320845 | 0.15450297 |
| 1.28230860 | 0.15393840 | 0.15357072 | 0.15195601 | 0.14860042 | 0.14537502 | 0.14322326 | 0.14259945 | 0.15378527 |
| 1.28484780 | 0.15323468 | 0.15287152 | 0.15127253 | 0.14794413 | 0.14474425 | 0.14261162 | 0.14199375 | 0.15307170 |
| 1.28738710 | 0.15253532 | 0.15217663 | 0.15059321 | 0.14729167 | 0.14411703 | 0.14200334 | 0.14139136 | 0.15236226 |
| 1.28992630 | 0.15184030 | 0.15148605 | 0.14991804 | 0.14664305 | 0.14349335 | 0.14139840 | 0.14079226 | 0.15165692 |
| 1.29246550 | 0.15114962 | 0.15079975 | 0.14924699 | 0.14599825 | 0.14287321 | 0.14079681 | 0.14019645 | 0.15095569 |
| 1.29500470 | 0.15046326 | 0.15011773 | 0.14858006 | 0.14535726 | 0.14225658 | 0.14019856 | 0.13960392 | 0.15025855 |
| 1.29754400 | 0.14978120 | 0.14943998 | 0.14791724 | 0.14472007 | 0.14164348 | 0.13960363 | 0.13901465 | 0.14956548 |
| 1.30008320 | 0.14910343 | 0.14876647 | 0.14725850 | 0.14408667 | 0.14103388 | 0.13901201 | 0.13842866 | 0.14887648 |
| 1.30262240 | 0.14842994 | 0.14809719 | 0.14660385 | 0.14345706 | 0.14042778 | 0.13842371 | 0.13784592 | 0.14819154 |
| 1.30516160 | 0.14776072 | 0.14743214 | 0.14595327 | 0.14283121 | 0.13982517 | 0.13783872 | 0.13726642 | 0.14751063 |
| 1.30770090 | 0.14709575 | 0.14677130 | 0.14530674 | 0.14220911 | 0.13922603 | 0.13725701 | 0.13669017 | 0.14683376 |
| 1.31024010 | 0.14643501 | 0.14611464 | 0.14466425 | 0.14159077 | 0.13863037 | 0.13667859 | 0.13611715 | 0.14616090 |
| 1.31277930 | 0.14577849 | 0.14546217 | 0.14402578 | 0.14097616 | 0.13803816 | 0.13610345 | 0.13554735 | 0.14549204 |
| 1.31531850 | 0.14512618 | 0.14481386 | 0.14339133 | 0.14036527 | 0.13744941 | 0.13553157 | 0.13498076 | 0.14482717 |
| 1.31785780 | 0.14447805 | 0.14416970 | 0.14276088 | 0.13975809 | 0.13686409 | 0.13496296 | 0.13441738 | 0.14416628 |
| 1.32039700 | 0.14383411 | 0.14352967 | 0.14213442 | 0.13915461 | 0.13628220 | 0.13439759 | 0.13385720 | 0.14350935 |
| 1.32293620 | 0.14319432 | 0.14289376 | 0.14151193 | 0.13855482 | 0.13570373 | 0.13383546 | 0.13330020 | 0.14285638 |
| 1.32547540 | 0.14255869 | 0.14226196 | 0.14089340 | 0.13795870 | 0.13512867 | 0.13327656 | 0.13274638 | 0.14220734 |
| 1.32801470 | 0.14192718 | 0.14163425 | 0.14027881 | 0.13736625 | 0.13455701 | 0.13272088 | 0.13219574 | 0.14156222 |
| 1.33055390 | 0.14129979 | 0.14101061 | 0.13966815 | 0.13677745 | 0.13398873 | 0.13216841 | 0.13164825 | 0.14092102 |
| 1.33309310 | 0.14067650 | 0.14039104 | 0.13906141 | 0.13619228 | 0.13342383 | 0.13161915 | 0.13110391 | 0.14028370 |
| 1.33563230 | 0.14005729 | 0.13977550 | 0.13845857 | 0.13561074 | 0.13286230 | 0.13107307 | 0.13056271 | 0.13965027 |
| 1.33817160 | 0.13944215 | 0.13916400 | 0.13785961 | 0.13503282 | 0.13230411 | 0.13053018 | 0.13002464 | 0.13902071 |
| 1.34071080 | 0.13883106 | 0.13855650 | 0.13726453 | 0.13445849 | 0.13174927 | 0.12999045 | 0.12948969 | 0.13839500 |
| 1.34325000 | 0.13822401 | 0.13795301 | 0.13667330 | 0.13388775 | 0.13119777 | 0.12945389 | 0.12895785 | 0.13777312 |
| 1.34578920 | 0.13762098 | 0.13735350 | 0.13608592 | 0.13332058 | 0.13064958 | 0.12892048 | 0.12842911 | 0.13715507 |
| 1.34832850 | 0.13702196 | 0.13675795 | 0.13550236 | 0.13275697 | 0.13010470 | 0.12839020 | 0.12790346 | 0.13654083 |
| 1.35086770 | 0.13642692 | 0.13616635 | 0.13492261 | 0.13219691 | 0.12956312 | 0.12786306 | 0.12738089 | 0.13593039 |
| 1.35340690 | 0.13583586 | 0.13557869 | 0.13434667 | 0.13164039 | 0.12902482 | 0.12733903 | 0.12686139 | 0.13532372 |
| 1.35594610 | 0.13524875 | 0.13499494 | 0.13377450 | 0.13108738 | 0.12848979 | 0.12681811 | 0.12634495 | 0.13472082 |
| 1.35848540 | 0.13466559 | 0.13441509 | 0.13320610 | 0.13053788 | 0.12795803 | 0.12630029 | 0.12583156 | 0.13412166 |
| 1.36102460 | 0.13408634 | 0.13383913 | 0.13264145 | 0.12999187 | 0.12742952 | 0.12578555 | 0.12532120 | 0.13352624 |
| 1.36356380 | 0.13351100 | 0.13326704 | 0.13208054 | 0.12944935 | 0.12690424 | 0.12527388 | 0.12481387 | 0.13293454 |
| 1.36610300 | 0.13293955 | 0.13269880 | 0.13152335 | 0.12891029 | 0.12638219 | 0.12476528 | 0.12430955 | 0.13234654 |
| 1.36864230 | 0.13237198 | 0.13213440 | 0.13096986 | 0.12837468 | 0.12586334 | 0.12425973 | 0.12380824 | 0.13176223 |
| 1.37118150 | 0.13180826 | 0.13157382 | 0.13042006 | 0.12784251 | 0.12534770 | 0.12375722 | 0.12330992 | 0.13118160 |
| 1.37372070 | 0.13124838 | 0.13101704 | 0.12987394 | 0.12731376 | 0.12483525 | 0.12325774 | 0.12281459 | 0.13060462 |
| 1.37625990 | 0.13069233 | 0.13046404 | 0.12933147 | 0.12678842 | 0.12432597 | 0.12276127 | 0.12232222 | 0.13003128 |
| 1.37879920 | 0.13014008 | 0.12991482 | 0.12879264 | 0.12626648 | 0.12381986 | 0.12226782 | 0.12183282 | 0.12946157 |
| 1.38133840 | 0.12959162 | 0.12936935 | 0.12825744 | 0.12574792 | 0.12331690 | 0.12177735 | 0.12134636 | 0.12889546 |
| 1.38387760 | 0.12904693 | 0.12882761 | 0.12772585 | 0.12523273 | 0.12281707 | 0.12128987 | 0.12086284 | 0.12833295 |
| 1.38641680 | 0.12850599 | 0.12828960 | 0.12719786 | 0.12472089 | 0.12232037 | 0.12080536 | 0.12038224 | 0.12777402 |
| 1.38895610 | 0.12796880 | 0.12775528 | 0.12667344 | 0.12421239 | 0.12182677 | 0.12032380 | 0.11990456 | 0.12721865 |
| 1.39149530 | 0.12743532 | 0.12722466 | 0.12615259 | 0.12370721 | 0.12133628 | 0.11984520 | 0.11942978 | 0.12666683 |
| 1.39403450 | 0.12690555 | 0.12669770 | 0.12563528 | 0.12320535 | 0.12084887 | 0.11936953 | 0.11895789 | 0.12611854 |
| 1.39657370 | 0.12637947 | 0.12617439 | 0.12512150 | 0.12270678 | 0.12036454 | 0.11889678 | 0.11848888 | 0.12557376 |
| 1.39911300 | 0.12585706 | 0.12565472 | 0.12461123 | 0.12221149 | 0.11988327 | 0.11842694 | 0.11802273 | 0.12503248 |
| 1.40165220 | 0.12533829 | 0.12513867 | 0.12410447 | 0.12171947 | 0.11940504 | 0.11796000 | 0.11755944 | 0.12449468 |
| 1.40419140 | 0.12482317 | 0.12462621 | 0.12360118 | 0.12123069 | 0.11892985 | 0.11749594 | 0.11709900 | 0.12396035 |
| 1.40673060 | 0.12431166 | 0.12411735 | 0.12310136 | 0.12074516 | 0.11845767 | 0.11703476 | 0.11664138 | 0.12342946 |
| 1.40926990 | 0.12380375 | 0.12361204 | 0.12260499 | 0.12026285 | 0.11798851 | 0.11657645 | 0.11618658 | 0.12290201 |
| 1.41180910 | 0.12329943 | 0.12311029 | 0.12211205 | 0.11978374 | 0.11752233 | 0.11612098 | 0.11573459 | 0.12237797 |
| 1.41434830 | 0.12279867 | 0.12261207 | 0.12162252 | 0.11930783 | 0.11705914 | 0.11566834 | 0.11528540 | 0.12185734 |
| 1.41688750 | 0.12230146 | 0.12211737 | 0.12113640 | 0.11883509 | 0.11659892 | 0.11521854 | 0.11483899 | 0.12134008 |
| 1.41942680 | 0.12180778 | 0.12162616 | 0.12065366 | 0.11836552 | 0.11614164 | 0.11477154 | 0.11439534 | 0.12082620 |
| 1.42196600 | 0.12131761 | 0.12113844 | 0.12017429 | 0.11789910 | 0.11568731 | 0.11432735 | 0.11395446 | 0.12031566 |
| 1.42450520 | 0.12083094 | 0.12065418 | 0.11969827 | 0.11743581 | 0.11523591 | 0.11388594 | 0.11351632 | 0.11980846 |
| 1.42704440 | 0.12034775 | 0.12017336 | 0.11922558 | 0.11697564 | 0.11478742 | 0.11344731 | 0.11308092 | 0.11930458 |
| 1.42958370 | 0.11986802 | 0.11969598 | 0.11875621 | 0.11651857 | 0.11434183 | 0.11301143 | 0.11264823 | 0.11880399 |
| 1.43212290 | 0.11939174 | 0.11922201 | 0.11829014 | 0.11606459 | 0.11389912 | 0.11257831 | 0.11221826 | 0.11830670 |
| 1.43466210 | 0.11891888 | 0.11875143 | 0.11782736 | 0.11561369 | 0.11345929 | 0.11214793 | 0.11179098 | 0.11781266 |
| 1.43720130 | 0.11844943 | 0.11828424 | 0.11736784 | 0.11516584 | 0.11302231 | 0.11172026 | 0.11136639 | 0.11732189 |
| 1.43974060 | 0.11798338 | 0.11782040 | 0.11691158 | 0.11472104 | 0.11258819 | 0.11129531 | 0.11094447 | 0.11683434 |
| 1.44227980 | 0.11752070 | 0.11735991 | 0.11645856 | 0.11427927 | 0.11215689 | 0.11087306 | 0.11052521 | 0.11635001 |
| 1.44481900 | 0.11706138 | 0.11690274 | 0.11600875 | 0.11384051 | 0.11172841 | 0.11045350 | 0.11010859 | 0.11586889 |
| 1.44735820 | 0.11660539 | 0.11644888 | 0.11556215 | 0.11340474 | 0.11130274 | 0.11003661 | 0.10969461 | 0.11539095 |
| 1.44989750 | 0.11615273 | 0.11599832 | 0.11511873 | 0.11297197 | 0.11087986 | 0.10962237 | 0.10928325 | 0.11491617 |
| 1.45243670 | 0.11570338 | 0.11555103 | 0.11467849 | 0.11254216 | 0.11045975 | 0.10921079 | 0.10887450 | 0.11444455 |
| 1.45497590 | 0.11525731 | 0.11510700 | 0.11424139 | 0.11211530 | 0.11004241 | 0.10880184 | 0.10846835 | 0.11397607 |
| 1.45751510 | 0.11481452 | 0.11466621 | 0.11380744 | 0.11169139 | 0.10962782 | 0.10839551 | 0.10806478 | 0.11351070 |
| 1.46005440 | 0.11437497 | 0.11422864 | 0.11337660 | 0.11127039 | 0.10921596 | 0.10799179 | 0.10766379 | 0.11304843 |
| 1.46259360 | 0.11393867 | 0.11379429 | 0.11294887 | 0.11085231 | 0.10880683 | 0.10759067 | 0.10726535 | 0.11258925 |
| 1.46513280 | 0.11350558 | 0.11336312 | 0.11252423 | 0.11043712 | 0.10840040 | 0.10719213 | 0.10686946 | 0.11213313 |
| 1.46767200 | 0.11307570 | 0.11293512 | 0.11210266 | 0.11002481 | 0.10799667 | 0.10679616 | 0.10647610 | 0.11168007 |
| 1.47021130 | 0.11264900 | 0.11251028 | 0.11168415 | 0.10961536 | 0.10759562 | 0.10640275 | 0.10608527 | 0.11123004 |
| 1.47275050 | 0.11222546 | 0.11208858 | 0.11126867 | 0.10920876 | 0.10719724 | 0.10601189 | 0.10569694 | 0.11078303 |
| 1.47528970 | 0.11180508 | 0.11166999 | 0.11085622 | 0.10880499 | 0.10680151 | 0.10562355 | 0.10531111 | 0.11033903 |
| 1.47782890 | 0.11138783 | 0.11125452 | 0.11044677 | 0.10840404 | 0.10640842 | 0.10523774 | 0.10492776 | 0.10989800 |
| 1.48036820 | 0.11097370 | 0.11084213 | 0.11004032 | 0.10800590 | 0.10601796 | 0.10485443 | 0.10454688 | 0.10945995 |
| 1.48290740 | 0.11056266 | 0.11043281 | 0.10963684 | 0.10761054 | 0.10563011 | 0.10447361 | 0.10416846 | 0.10902485 |
| 1.48544660 | 0.11015471 | 0.11002655 | 0.10923631 | 0.10721796 | 0.10524485 | 0.10409528 | 0.10379249 | 0.10859268 |
| 1.48798580 | 0.10974982 | 0.10962332 | 0.10883873 | 0.10682813 | 0.10486219 | 0.10371941 | 0.10341895 | 0.10816343 |
| 1.49052510 | 0.10934798 | 0.10922311 | 0.10844407 | 0.10644105 | 0.10448209 | 0.10334600 | 0.10304783 | 0.10773709 |
| 1.49306430 | 0.10894917 | 0.10882591 | 0.10805232 | 0.10605670 | 0.10410455 | 0.10297503 | 0.10267912 | 0.10731363 |
| 1.49560350 | 0.10855337 | 0.10843169 | 0.10766347 | 0.10567506 | 0.10372955 | 0.10260648 | 0.10231280 | 0.10689304 |
| 1.49814270 | 0.10816057 | 0.10804044 | 0.10727749 | 0.10529612 | 0.10335709 | 0.10224035 | 0.10194886 | 0.10647530 |
| 1.50068200 | 0.10777075 | 0.10765215 | 0.10689437 | 0.10491986 | 0.10298714 | 0.10187663 | 0.10158730 | 0.10606040 |
| 1.50322120 | 0.10738389 | 0.10726679 | 0.10651410 | 0.10454627 | 0.10261969 | 0.10151530 | 0.10122809 | 0.10564832 |
| 1.50576040 | 0.10699998 | 0.10688435 | 0.10613665 | 0.10417534 | 0.10225473 | 0.10115634 | 0.10087122 | 0.10523905 |
| 1.50829960 | 0.10661900 | 0.10650482 | 0.10576202 | 0.10380704 | 0.10189225 | 0.10079975 | 0.10051669 | 0.10483256 |
| 1.51083890 | 0.10624093 | 0.10612817 | 0.10539018 | 0.10344137 | 0.10153223 | 0.10044550 | 0.10016447 | 0.10442884 |
| 1.51337810 | 0.10586576 | 0.10575439 | 0.10502112 | 0.10307831 | 0.10117465 | 0.10009360 | 0.09981456 | 0.10402788 |
| 1.51591730 | 0.10549346 | 0.10538346 | 0.10465483 | 0.10271784 | 0.10081951 | 0.09974402 | 0.09946695 | 0.10362965 |
| 1.51845650 | 0.10512403 | 0.10501538 | 0.10429129 | 0.10235996 | 0.10046679 | 0.09939676 | 0.09912162 | 0.10323415 |
| 1.52099580 | 0.10475745 | 0.10465011 | 0.10393048 | 0.10200463 | 0.10011648 | 0.09905180 | 0.09877855 | 0.10284135 |
| 1.52353500 | 0.10439369 | 0.10428764 | 0.10357238 | 0.10165186 | 0.09976856 | 0.09870912 | 0.09843774 | 0.10245124 |
| 1.52607420 | 0.10403275 | 0.10392797 | 0.10321699 | 0.10130163 | 0.09942302 | 0.09836872 | 0.09809918 | 0.10206381 |
| 1.52861340 | 0.10367460 | 0.10357106 | 0.10286428 | 0.10095391 | 0.09907984 | 0.09803058 | 0.09776285 | 0.10167904 |
| 1.53115270 | 0.10331923 | 0.10321691 | 0.10251425 | 0.10060871 | 0.09873902 | 0.09769469 | 0.09742873 | 0.10129690 |
| 1.53369190 | 0.10296663 | 0.10286550 | 0.10216686 | 0.10026599 | 0.09840054 | 0.09736103 | 0.09709682 | 0.10091739 |
| 1.53623110 | 0.10261677 | 0.10251681 | 0.10182211 | 0.09992575 | 0.09806439 | 0.09702960 | 0.09676711 | 0.10054049 |
| 1.53877030 | 0.10226964 | 0.10217083 | 0.10147999 | 0.09958798 | 0.09773054 | 0.09670038 | 0.09643957 | 0.10016619 |
| 1.54130960 | 0.10192523 | 0.10182753 | 0.10114047 | 0.09925265 | 0.09739900 | 0.09637336 | 0.09611421 | 0.09979446 |
| 1.54384880 | 0.10158352 | 0.10148691 | 0.10080355 | 0.09891976 | 0.09706973 | 0.09604852 | 0.09579100 | 0.09942529 |
| 1.54638800 | 0.10124449 | 0.10114895 | 0.10046920 | 0.09858928 | 0.09674275 | 0.09572586 | 0.09546993 | 0.09905867 |
| 1.54892720 | 0.10090812 | 0.10081363 | 0.10013741 | 0.09826121 | 0.09641801 | 0.09540535 | 0.09515099 | 0.09869458 |
| 1.55146650 | 0.10057441 | 0.10048094 | 0.09980816 | 0.09793553 | 0.09609553 | 0.09508700 | 0.09483418 | 0.09833300 |
| 1.55400570 | 0.10024333 | 0.10015086 | 0.09948145 | 0.09761223 | 0.09577528 | 0.09477078 | 0.09451947 | 0.09797392 |
| 1.55654490 | 0.09991486 | 0.09982337 | 0.09915724 | 0.09729128 | 0.09545724 | 0.09445668 | 0.09420685 | 0.09761732 |
| 1.55908410 | 0.09958900 | 0.09949846 | 0.09883554 | 0.09697269 | 0.09514141 | 0.09414469 | 0.09389632 | 0.09726319 |
| 1.56162340 | 0.09926572 | 0.09917611 | 0.09851632 | 0.09665643 | 0.09482777 | 0.09383480 | 0.09358785 | 0.09691151 |
| 1.56416260 | 0.09894501 | 0.09885631 | 0.09819957 | 0.09634248 | 0.09451631 | 0.09352699 | 0.09328145 | 0.09656226 |
| 1.56670180 | 0.09862686 | 0.09853904 | 0.09788527 | 0.09603084 | 0.09420702 | 0.09322126 | 0.09297708 | 0.09621544 |
| 1.56924100 | 0.09831125 | 0.09822428 | 0.09757341 | 0.09572149 | 0.09389987 | 0.09291758 | 0.09267475 | 0.09587102 |
| 1.57178030 | 0.09799816 | 0.09791203 | 0.09726396 | 0.09541442 | 0.09359487 | 0.09261595 | 0.09237444 | 0.09552899 |
| 1.57431950 | 0.09768757 | 0.09760226 | 0.09695693 | 0.09510960 | 0.09329199 | 0.09231636 | 0.09207614 | 0.09518933 |
| 1.57685870 | 0.09737948 | 0.09729495 | 0.09665229 | 0.09480704 | 0.09299122 | 0.09201879 | 0.09177984 | 0.09485203 |
| 1.57939790 | 0.09707386 | 0.09699010 | 0.09635003 | 0.09450671 | 0.09269256 | 0.09172323 | 0.09148552 | 0.09451707 |
| 1.58193720 | 0.09677070 | 0.09668769 | 0.09605013 | 0.09420860 | 0.09239598 | 0.09142967 | 0.09119317 | 0.09418444 |
| 1.58447640 | 0.09646998 | 0.09638770 | 0.09575257 | 0.09391269 | 0.09210147 | 0.09113809 | 0.09090277 | 0.09385412 |
| 1.58701560 | 0.09617170 | 0.09609012 | 0.09545735 | 0.09361897 | 0.09180903 | 0.09084849 | 0.09061433 | 0.09352610 |
| 1.58955480 | 0.09587583 | 0.09579493 | 0.09516444 | 0.09332743 | 0.09151863 | 0.09056084 | 0.09032782 | 0.09320036 |
| 1.59209410 | 0.09558235 | 0.09550211 | 0.09487384 | 0.09303806 | 0.09123026 | 0.09027515 | 0.09004324 | 0.09287689 |
| 1.59463330 | 0.09529126 | 0.09521166 | 0.09458553 | 0.09275083 | 0.09094392 | 0.08999139 | 0.08976056 | 0.09255566 |
| 1.59717250 | 0.09500254 | 0.09492355 | 0.09429948 | 0.09246574 | 0.09065959 | 0.08970955 | 0.08947979 | 0.09223668 |
| 1.59971170 | 0.09471617 | 0.09463777 | 0.09401570 | 0.09218278 | 0.09037725 | 0.08942963 | 0.08920090 | 0.09191991 |
| 1.60225100 | 0.09443213 | 0.09435431 | 0.09373416 | 0.09190192 | 0.09009689 | 0.08915161 | 0.08892388 | 0.09160535 |
| 1.60479020 | 0.09415042 | 0.09407315 | 0.09345484 | 0.09162315 | 0.08981851 | 0.08887547 | 0.08864874 | 0.09129298 |
| 1.60732940 | 0.09387101 | 0.09379427 | 0.09317775 | 0.09134647 | 0.08954208 | 0.08860121 | 0.08837544 | 0.09098279 |
| 1.60986860 | 0.09359390 | 0.09351767 | 0.09290285 | 0.09107185 | 0.08926759 | 0.08832881 | 0.08810398 | 0.09067476 |
| 1.61240790 | 0.09331906 | 0.09324332 | 0.09263014 | 0.09079928 | 0.08899504 | 0.08805827 | 0.08783434 | 0.09036888 |
| 1.61494710 | 0.09304648 | 0.09297121 | 0.09235959 | 0.09052876 | 0.08872441 | 0.08778956 | 0.08756653 | 0.09006512 |
| 1.61748630 | 0.09277615 | 0.09270133 | 0.09209121 | 0.09026026 | 0.08845568 | 0.08752268 | 0.08730051 | 0.08976349 |
| 1.62002550 | 0.09250805 | 0.09243365 | 0.09182496 | 0.08999377 | 0.08818885 | 0.08725761 | 0.08703629 | 0.08946395 |
| 1.62256480 | 0.09224217 | 0.09216818 | 0.09156084 | 0.08972928 | 0.08792389 | 0.08699435 | 0.08677385 | 0.08916651 |
| 1.62510400 | 0.09197849 | 0.09190488 | 0.09129884 | 0.08946678 | 0.08766081 | 0.08673288 | 0.08651318 | 0.08887114 |
| 1.62764320 | 0.09171700 | 0.09164376 | 0.09103893 | 0.08920624 | 0.08739958 | 0.08647319 | 0.08625427 | 0.08857782 |
| 1.63018240 | 0.09145768 | 0.09138478 | 0.09078111 | 0.08894767 | 0.08714019 | 0.08621526 | 0.08599709 | 0.08828655 |
| 1.63272170 | 0.09120052 | 0.09112794 | 0.09052536 | 0.08869104 | 0.08688264 | 0.08595909 | 0.08574166 | 0.08799732 |
| 1.63526090 | 0.09094550 | 0.09087323 | 0.09027166 | 0.08843634 | 0.08662690 | 0.08570466 | 0.08548794 | 0.08771009 |
| 1.63780010 | 0.09069262 | 0.09062062 | 0.09002001 | 0.08818357 | 0.08637297 | 0.08545197 | 0.08523594 | 0.08742487 |
| 1.64033930 | 0.09044184 | 0.09037011 | 0.08977038 | 0.08793269 | 0.08612084 | 0.08520100 | 0.08498563 | 0.08714163 |
| 1.64287860 | 0.09019317 | 0.09012168 | 0.08952277 | 0.08768371 | 0.08587048 | 0.08495173 | 0.08473701 | 0.08686036 |
| 1.64541780 | 0.08994658 | 0.08987532 | 0.08927716 | 0.08743661 | 0.08562189 | 0.08470416 | 0.08449006 | 0.08658106 |
| 1.64795700 | 0.08970206 | 0.08963100 | 0.08903353 | 0.08719137 | 0.08537506 | 0.08445828 | 0.08424478 | 0.08630370 |
| 1.65049620 | 0.08945960 | 0.08938873 | 0.08879188 | 0.08694798 | 0.08512997 | 0.08421407 | 0.08400115 | 0.08602826 |
| 1.65303550 | 0.08921918 | 0.08914847 | 0.08855218 | 0.08670643 | 0.08488662 | 0.08397151 | 0.08375916 | 0.08575474 |
| 1.65557470 | 0.08898079 | 0.08891022 | 0.08831443 | 0.08646671 | 0.08464498 | 0.08373061 | 0.08351881 | 0.08548313 |
| 1.65811390 | 0.08874441 | 0.08867397 | 0.08807860 | 0.08622880 | 0.08440505 | 0.08349135 | 0.08328006 | 0.08521340 |
| 1.66065310 | 0.08851003 | 0.08843970 | 0.08784470 | 0.08599269 | 0.08416682 | 0.08325372 | 0.08304293 | 0.08494554 |
| 1.66319240 | 0.08827763 | 0.08820739 | 0.08761269 | 0.08575837 | 0.08393027 | 0.08301769 | 0.08280739 | 0.08467955 |
| 1.66573160 | 0.08804721 | 0.08797704 | 0.08738258 | 0.08552582 | 0.08369539 | 0.08278328 | 0.08257343 | 0.08441540 |
| 1.66827080 | 0.08781875 | 0.08774862 | 0.08715433 | 0.08529503 | 0.08346217 | 0.08255045 | 0.08234105 | 0.08415308 |
| 1.67081000 | 0.08759223 | 0.08752213 | 0.08692795 | 0.08506599 | 0.08323059 | 0.08231921 | 0.08211023 | 0.08389258 |
| 1.67334930 | 0.08736763 | 0.08729755 | 0.08670342 | 0.08483869 | 0.08300065 | 0.08208953 | 0.08188096 | 0.08363389 |
| 1.67588850 | 0.08714495 | 0.08707487 | 0.08648072 | 0.08461310 | 0.08277234 | 0.08186141 | 0.08165322 | 0.08337698 |
| 1.67842770 | 0.08692418 | 0.08685406 | 0.08625985 | 0.08438923 | 0.08254563 | 0.08163484 | 0.08142702 | 0.08312185 |
| 1.68096690 | 0.08670529 | 0.08663513 | 0.08604078 | 0.08416705 | 0.08232052 | 0.08140980 | 0.08120232 | 0.08286849 |
| 1.68350620 | 0.08648827 | 0.08641805 | 0.08582350 | 0.08394655 | 0.08209700 | 0.08118629 | 0.08097914 | 0.08261688 |
| 1.68604540 | 0.08627312 | 0.08620281 | 0.08560800 | 0.08372773 | 0.08187505 | 0.08096429 | 0.08075745 | 0.08236700 |
| 1.68858460 | 0.08605981 | 0.08598939 | 0.08539427 | 0.08351056 | 0.08165466 | 0.08074379 | 0.08053724 | 0.08211884 |
| 1.69112380 | 0.08584833 | 0.08577780 | 0.08518230 | 0.08329504 | 0.08143583 | 0.08052477 | 0.08031850 | 0.08187239 |
| 1.69366310 | 0.08563867 | 0.08556800 | 0.08497206 | 0.08308115 | 0.08121853 | 0.08030724 | 0.08010122 | 0.08162764 |
| 1.69620230 | 0.08543081 | 0.08535998 | 0.08476355 | 0.08286889 | 0.08100277 | 0.08009118 | 0.07988539 | 0.08138457 |
| 1.69874150 | 0.08522475 | 0.08515375 | 0.08455675 | 0.08265822 | 0.08078851 | 0.07987656 | 0.07967101 | 0.08114317 |
| 1.70128070 | 0.08502046 | 0.08494926 | 0.08435165 | 0.08244916 | 0.08057576 | 0.07966340 | 0.07945804 | 0.08090343 |
| 1.70382000 | 0.08481794 | 0.08474653 | 0.08414824 | 0.08224168 | 0.08036451 | 0.07945167 | 0.07924650 | 0.08066533 |
| 1.70635920 | 0.08461716 | 0.08454553 | 0.08394650 | 0.08203576 | 0.08015473 | 0.07924136 | 0.07903636 | 0.08042886 |
| 1.70889840 | 0.08441813 | 0.08434624 | 0.08374643 | 0.08183140 | 0.07994642 | 0.07903246 | 0.07882761 | 0.08019400 |
| 1.71143760 | 0.08422082 | 0.08414867 | 0.08354800 | 0.08162859 | 0.07973957 | 0.07882496 | 0.07862025 | 0.07996075 |
| 1.71397690 | 0.08402521 | 0.08395278 | 0.08335120 | 0.08142732 | 0.07953417 | 0.07861885 | 0.07841426 | 0.07972908 |
| 1.71651610 | 0.08383131 | 0.08375857 | 0.08315602 | 0.08122756 | 0.07933020 | 0.07841412 | 0.07820963 | 0.07949900 |
| 1.71905530 | 0.08363909 | 0.08356603 | 0.08296246 | 0.08102930 | 0.07912764 | 0.07821076 | 0.07800635 | 0.07927048 |
| 1.72159450 | 0.08344853 | 0.08337514 | 0.08277048 | 0.08083255 | 0.07892651 | 0.07800875 | 0.07780442 | 0.07904350 |
| 1.72413380 | 0.08325964 | 0.08318589 | 0.08258009 | 0.08063728 | 0.07872677 | 0.07780808 | 0.07760381 | 0.07881807 |
| 1.72667300 | 0.08307238 | 0.08299826 | 0.08239127 | 0.08044347 | 0.07852841 | 0.07760876 | 0.07740452 | 0.07859416 |
| 1.72921220 | 0.08288676 | 0.08281225 | 0.08220400 | 0.08025113 | 0.07833144 | 0.07741075 | 0.07720654 | 0.07837177 |
| 1.73175140 | 0.08270275 | 0.08262783 | 0.08201828 | 0.08006023 | 0.07813582 | 0.07721406 | 0.07700985 | 0.07815087 |
| 1.73429070 | 0.08252035 | 0.08244500 | 0.08183409 | 0.07987077 | 0.07794156 | 0.07701866 | 0.07681446 | 0.07793146 |
| 1.73682990 | 0.08233954 | 0.08226374 | 0.08165141 | 0.07968272 | 0.07774865 | 0.07682456 | 0.07662033 | 0.07771352 |
| 1.73936910 | 0.08216031 | 0.08208405 | 0.08147023 | 0.07949609 | 0.07755706 | 0.07663174 | 0.07642747 | 0.07749705 |
| 1.74190830 | 0.08198263 | 0.08190590 | 0.08129055 | 0.07931086 | 0.07736679 | 0.07644019 | 0.07623587 | 0.07728202 |
| 1.74444760 | 0.08180651 | 0.08172928 | 0.08111235 | 0.07912701 | 0.07717783 | 0.07624989 | 0.07604551 | 0.07706843 |
| 1.74698680 | 0.08163193 | 0.08155419 | 0.08093561 | 0.07894453 | 0.07699017 | 0.07606085 | 0.07585638 | 0.07685626 |
| 1.74952600 | 0.08145888 | 0.08138060 | 0.08076033 | 0.07876341 | 0.07680379 | 0.07587304 | 0.07566848 | 0.07664551 |
| 1.75206520 | 0.08128733 | 0.08120851 | 0.08058648 | 0.07858364 | 0.07661868 | 0.07568645 | 0.07548179 | 0.07643615 |
| 1.75460450 | 0.08111729 | 0.08103789 | 0.08041407 | 0.07840521 | 0.07643484 | 0.07550108 | 0.07529629 | 0.07622818 |
| 1.75714370 | 0.08094873 | 0.08086875 | 0.08024306 | 0.07822811 | 0.07625225 | 0.07531692 | 0.07511199 | 0.07602158 |
| 1.75968290 | 0.08078164 | 0.08070107 | 0.08007346 | 0.07805231 | 0.07607090 | 0.07513394 | 0.07492887 | 0.07581634 |
| 1.76222210 | 0.08061602 | 0.08053482 | 0.07990525 | 0.07787782 | 0.07589078 | 0.07495216 | 0.07474692 | 0.07561245 |
| 1.76476140 | 0.08045184 | 0.08037001 | 0.07973842 | 0.07770462 | 0.07571187 | 0.07477154 | 0.07456613 | 0.07540990 |
| 1.76730060 | 0.08028910 | 0.08020661 | 0.07957295 | 0.07753269 | 0.07553417 | 0.07459209 | 0.07438649 | 0.07520867 |
| 1.76983980 | 0.08012777 | 0.08004462 | 0.07940883 | 0.07736203 | 0.07535767 | 0.07441378 | 0.07420798 | 0.07500875 |
| 1.77237900 | 0.07996786 | 0.07988402 | 0.07924605 | 0.07719262 | 0.07518235 | 0.07423662 | 0.07403061 | 0.07481013 |
| 1.77491830 | 0.07980934 | 0.07972480 | 0.07908460 | 0.07702445 | 0.07500821 | 0.07406059 | 0.07385435 | 0.07461280 |
| 1.77745750 | 0.07965221 | 0.07956695 | 0.07892446 | 0.07685751 | 0.07483523 | 0.07388568 | 0.07367920 | 0.07441675 |
| 1.77999670 | 0.07949644 | 0.07941044 | 0.07876562 | 0.07669179 | 0.07466339 | 0.07371188 | 0.07350514 | 0.07422195 |
| 1.78253590 | 0.07934204 | 0.07925528 | 0.07860807 | 0.07652727 | 0.07449270 | 0.07353917 | 0.07333217 | 0.07402841 |
| 1.78507520 | 0.07918898 | 0.07910145 | 0.07845180 | 0.07636395 | 0.07432314 | 0.07336756 | 0.07316028 | 0.07383611 |
| 1.78761440 | 0.07903725 | 0.07894894 | 0.07829679 | 0.07620181 | 0.07415470 | 0.07319702 | 0.07298945 | 0.07364503 |
| 1.79015360 | 0.07888684 | 0.07879772 | 0.07814303 | 0.07604084 | 0.07398736 | 0.07302755 | 0.07281968 | 0.07345517 |
| 1.79269280 | 0.07873774 | 0.07864780 | 0.07799051 | 0.07588103 | 0.07382112 | 0.07285914 | 0.07265096 | 0.07326651 |
| 1.79523210 | 0.07858993 | 0.07849916 | 0.07783922 | 0.07572237 | 0.07365597 | 0.07269177 | 0.07248327 | 0.07307904 |
| 1.79777130 | 0.07844341 | 0.07835178 | 0.07768915 | 0.07556484 | 0.07349188 | 0.07252544 | 0.07231660 | 0.07289276 |
| 1.80031050 | 0.07829815 | 0.07820565 | 0.07754027 | 0.07540843 | 0.07332887 | 0.07236014 | 0.07215095 | 0.07270763 |
| 1.80284970 | 0.07815415 | 0.07806076 | 0.07739258 | 0.07525314 | 0.07316690 | 0.07219585 | 0.07198631 | 0.07252367 |
| 1.80538900 | 0.07801140 | 0.07791710 | 0.07724608 | 0.07509895 | 0.07300598 | 0.07203257 | 0.07182265 | 0.07234085 |
| 1.80792820 | 0.07786987 | 0.07777465 | 0.07710073 | 0.07494584 | 0.07284609 | 0.07187028 | 0.07165999 | 0.07215916 |
| 1.81046740 | 0.07772957 | 0.07763341 | 0.07695654 | 0.07479381 | 0.07268722 | 0.07170897 | 0.07149829 | 0.07197859 |
| 1.81300660 | 0.07759047 | 0.07749336 | 0.07681349 | 0.07464285 | 0.07252936 | 0.07154864 | 0.07133757 | 0.07179913 |
| 1.81554590 | 0.07745257 | 0.07735448 | 0.07667157 | 0.07449294 | 0.07237249 | 0.07138928 | 0.07117779 | 0.07162076 |
| 1.81808510 | 0.07731584 | 0.07721677 | 0.07653076 | 0.07434407 | 0.07221662 | 0.07123087 | 0.07101896 | 0.07144348 |
| 1.82062430 | 0.07718029 | 0.07708021 | 0.07639106 | 0.07419623 | 0.07206172 | 0.07107340 | 0.07086106 | 0.07126728 |
| 1.82316350 | 0.07704589 | 0.07694479 | 0.07625245 | 0.07404941 | 0.07190779 | 0.07091686 | 0.07070408 | 0.07109213 |
| 1.82570280 | 0.07691264 | 0.07681050 | 0.07611491 | 0.07390360 | 0.07175482 | 0.07076125 | 0.07054802 | 0.07091804 |
| 1.82824200 | 0.07678051 | 0.07667733 | 0.07597845 | 0.07375879 | 0.07160279 | 0.07060656 | 0.07039287 | 0.07074499 |
| 1.83078120 | 0.07664951 | 0.07654525 | 0.07584303 | 0.07361496 | 0.07145169 | 0.07045276 | 0.07023860 | 0.07057296 |
| 1.83332040 | 0.07651961 | 0.07641427 | 0.07570866 | 0.07347210 | 0.07130152 | 0.07029986 | 0.07008522 | 0.07040195 |
| 1.83585970 | 0.07639081 | 0.07628437 | 0.07557532 | 0.07333020 | 0.07115226 | 0.07014784 | 0.06993272 | 0.07023195 |
| 1.83839890 | 0.07626309 | 0.07615553 | 0.07544300 | 0.07318926 | 0.07100391 | 0.06999669 | 0.06978107 | 0.07006293 |
| 1.84093810 | 0.07613644 | 0.07602774 | 0.07531169 | 0.07304925 | 0.07085644 | 0.06984641 | 0.06963029 | 0.06989490 |
| 1.84347730 | 0.07601085 | 0.07590100 | 0.07518136 | 0.07291017 | 0.07070986 | 0.06969698 | 0.06948034 | 0.06972784 |
| 1.84601660 | 0.07588630 | 0.07577528 | 0.07505202 | 0.07277200 | 0.07056415 | 0.06954839 | 0.06933123 | 0.06956174 |
| 1.84855580 | 0.07576278 | 0.07565058 | 0.07492365 | 0.07263474 | 0.07041930 | 0.06940064 | 0.06918294 | 0.06939659 |
| 1.85109500 | 0.07564028 | 0.07552688 | 0.07479624 | 0.07249837 | 0.07027530 | 0.06925370 | 0.06903547 | 0.06923238 |
| 1.85363420 | 0.07551879 | 0.07540418 | 0.07466977 | 0.07236289 | 0.07013213 | 0.06910758 | 0.06888880 | 0.06906909 |
| 1.85617350 | 0.07539830 | 0.07528245 | 0.07454423 | 0.07222827 | 0.06998980 | 0.06896227 | 0.06874293 | 0.06890671 |
| 1.85871270 | 0.07527879 | 0.07516169 | 0.07441962 | 0.07209451 | 0.06984828 | 0.06881774 | 0.06859784 | 0.06874524 |
| 1.86125190 | 0.07516025 | 0.07504189 | 0.07429591 | 0.07196160 | 0.06970758 | 0.06867400 | 0.06845353 | 0.06858467 |
| 1.86379110 | 0.07504267 | 0.07492303 | 0.07417310 | 0.07182953 | 0.06956767 | 0.06853103 | 0.06830998 | 0.06842497 |
| 1.86633040 | 0.07492603 | 0.07480510 | 0.07405118 | 0.07169828 | 0.06942854 | 0.06838882 | 0.06816719 | 0.06826614 |
| 1.86886960 | 0.07481033 | 0.07468809 | 0.07393013 | 0.07156784 | 0.06929020 | 0.06824737 | 0.06802514 | 0.06810818 |
| 1.87140880 | 0.07469555 | 0.07457198 | 0.07380994 | 0.07143821 | 0.06915262 | 0.06810666 | 0.06788383 | 0.06795106 |
| 1.87394800 | 0.07458168 | 0.07445676 | 0.07369060 | 0.07130937 | 0.06901579 | 0.06796668 | 0.06774325 | 0.06779478 |
| 1.87648730 | 0.07446871 | 0.07434243 | 0.07357209 | 0.07118130 | 0.06887971 | 0.06782743 | 0.06760338 | 0.06763932 |
| 1.87902650 | 0.07435662 | 0.07422897 | 0.07345441 | 0.07105401 | 0.06874437 | 0.06768889 | 0.06746422 | 0.06748468 |
| 1.88156570 | 0.07424541 | 0.07411636 | 0.07333754 | 0.07092748 | 0.06860975 | 0.06755105 | 0.06732576 | 0.06733085 |
| 1.88410490 | 0.07413505 | 0.07400460 | 0.07322148 | 0.07080169 | 0.06847584 | 0.06741391 | 0.06718798 | 0.06717780 |
| 1.88664420 | 0.07402554 | 0.07389367 | 0.07310620 | 0.07067663 | 0.06834264 | 0.06727745 | 0.06705088 | 0.06702555 |
| 1.88918340 | 0.07391687 | 0.07378356 | 0.07299170 | 0.07055230 | 0.06821014 | 0.06714167 | 0.06691445 | 0.06687406 |
| 1.89172260 | 0.07380902 | 0.07367426 | 0.07287796 | 0.07042868 | 0.06807831 | 0.06700655 | 0.06677868 | 0.06672334 |
| 1.89426180 | 0.07370199 | 0.07356575 | 0.07276498 | 0.07030576 | 0.06794716 | 0.06687208 | 0.06664356 | 0.06657336 |
| 1.89680110 | 0.07359575 | 0.07345803 | 0.07265274 | 0.07018354 | 0.06781668 | 0.06673827 | 0.06650908 | 0.06642413 |
| 1.89934030 | 0.07349030 | 0.07335108 | 0.07254122 | 0.07006199 | 0.06768684 | 0.06660509 | 0.06637523 | 0.06627563 |
| 1.90187950 | 0.07338563 | 0.07324489 | 0.07243043 | 0.06994111 | 0.06755765 | 0.06647253 | 0.06624200 | 0.06612784 |
| 1.90441870 | 0.07328172 | 0.07313945 | 0.07232033 | 0.06982089 | 0.06742909 | 0.06634059 | 0.06610938 | 0.06598077 |
| 1.90695800 | 0.07317855 | 0.07303474 | 0.07221094 | 0.06970131 | 0.06730116 | 0.06620926 | 0.06597736 | 0.06583439 |
| 1.90949720 | 0.07307613 | 0.07293076 | 0.07210222 | 0.06958238 | 0.06717384 | 0.06607852 | 0.06584593 | 0.06568870 |
| 1.91203640 | 0.07297444 | 0.07282748 | 0.07199417 | 0.06946406 | 0.06704712 | 0.06594838 | 0.06571509 | 0.06554368 |
| 1.91457560 | 0.07287345 | 0.07272491 | 0.07188678 | 0.06934635 | 0.06692099 | 0.06581880 | 0.06558482 | 0.06539933 |
| 1.91711490 | 0.07277317 | 0.07262302 | 0.07178004 | 0.06922925 | 0.06679544 | 0.06568980 | 0.06545512 | 0.06525564 |
| 1.91965410 | 0.07267358 | 0.07252181 | 0.07167393 | 0.06911274 | 0.06667046 | 0.06556136 | 0.06532597 | 0.06511259 |
| 1.92219330 | 0.07257467 | 0.07242126 | 0.07156845 | 0.06899681 | 0.06654605 | 0.06543347 | 0.06519736 | 0.06497018 |
| 1.92473250 | 0.07247642 | 0.07232136 | 0.07146357 | 0.06888145 | 0.06642219 | 0.06530612 | 0.06506929 | 0.06482839 |
| 1.92727180 | 0.07237883 | 0.07222210 | 0.07135929 | 0.06876665 | 0.06629887 | 0.06517930 | 0.06494175 | 0.06468722 |
| 1.92981100 | 0.07228188 | 0.07212346 | 0.07125560 | 0.06865239 | 0.06617608 | 0.06505300 | 0.06481472 | 0.06454665 |
| 1.93235020 | 0.07218555 | 0.07202544 | 0.07115248 | 0.06853867 | 0.06605382 | 0.06492721 | 0.06468820 | 0.06440668 |
| 1.93488940 | 0.07208985 | 0.07192802 | 0.07104993 | 0.06842547 | 0.06593206 | 0.06480192 | 0.06456218 | 0.06426729 |
| 1.93742870 | 0.07199475 | 0.07183119 | 0.07094793 | 0.06831279 | 0.06581081 | 0.06467713 | 0.06443665 | 0.06412847 |
| 1.93996790 | 0.07190024 | 0.07173494 | 0.07084646 | 0.06820062 | 0.06569005 | 0.06455281 | 0.06431160 | 0.06399022 |
| 1.94250710 | 0.07180631 | 0.07163925 | 0.07074553 | 0.06808893 | 0.06556977 | 0.06442898 | 0.06418702 | 0.06385252 |
| 1.94504630 | 0.07171295 | 0.07154412 | 0.07064511 | 0.06797773 | 0.06544997 | 0.06430561 | 0.06406291 | 0.06371536 |
| 1.94758560 | 0.07162015 | 0.07144953 | 0.07054520 | 0.06786700 | 0.06533063 | 0.06418269 | 0.06393924 | 0.06357874 |
| 1.95012480 | 0.07152790 | 0.07135548 | 0.07044578 | 0.06775673 | 0.06521174 | 0.06406022 | 0.06381602 | 0.06344263 |
| 1.95266400 | 0.07143617 | 0.07126193 | 0.07034683 | 0.06764691 | 0.06509329 | 0.06393819 | 0.06369323 | 0.06330705 |
| 1.95520320 | 0.07134497 | 0.07116890 | 0.07024836 | 0.06753752 | 0.06497528 | 0.06381658 | 0.06357087 | 0.06317196 |
| 1.95774250 | 0.07125428 | 0.07107636 | 0.07015035 | 0.06742857 | 0.06485769 | 0.06369540 | 0.06344892 | 0.06303737 |
| 1.96028170 | 0.07116408 | 0.07098430 | 0.07005278 | 0.06732003 | 0.06474051 | 0.06357462 | 0.06332738 | 0.06290326 |
| 1.96282090 | 0.07107437 | 0.07089272 | 0.06995565 | 0.06721190 | 0.06462374 | 0.06345424 | 0.06320624 | 0.06276963 |
| 1.96536010 | 0.07098512 | 0.07080159 | 0.06985894 | 0.06710417 | 0.06450736 | 0.06333426 | 0.06308549 | 0.06263646 |
| 1.96789940 | 0.07089634 | 0.07071090 | 0.06976264 | 0.06699682 | 0.06439137 | 0.06321465 | 0.06296512 | 0.06250374 |
| 1.97043860 | 0.07080801 | 0.07062066 | 0.06966674 | 0.06688984 | 0.06427575 | 0.06309542 | 0.06284512 | 0.06237147 |
| 1.97297780 | 0.07072012 | 0.07053083 | 0.06957122 | 0.06678323 | 0.06416050 | 0.06297655 | 0.06272548 | 0.06223963 |
| 1.97551700 | 0.07063265 | 0.07044142 | 0.06947609 | 0.06667697 | 0.06404560 | 0.06285804 | 0.06260619 | 0.06210822 |
| 1.97805630 | 0.07054559 | 0.07035240 | 0.06938131 | 0.06657106 | 0.06393105 | 0.06273987 | 0.06248725 | 0.06197722 |
| 1.98059550 | 0.07045894 | 0.07026377 | 0.06928690 | 0.06646548 | 0.06381684 | 0.06262204 | 0.06236864 | 0.06184663 |
| 1.98313470 | 0.07037267 | 0.07017552 | 0.06919282 | 0.06636022 | 0.06370295 | 0.06250454 | 0.06225037 | 0.06171644 |
| 1.98567390 | 0.07028678 | 0.07008763 | 0.06909907 | 0.06625527 | 0.06358938 | 0.06238735 | 0.06213240 | 0.06158663 |
| 1.98821320 | 0.07020126 | 0.07000009 | 0.06900564 | 0.06615062 | 0.06347612 | 0.06227048 | 0.06201475 | 0.06145720 |
| 1.99075240 | 0.07011609 | 0.06991289 | 0.06891252 | 0.06604626 | 0.06336316 | 0.06215391 | 0.06189740 | 0.06132813 |
| 1.99329160 | 0.07003126 | 0.06982602 | 0.06881970 | 0.06594218 | 0.06325049 | 0.06203762 | 0.06178034 | 0.06119943 |
| 1.99583080 | 0.06994676 | 0.06973946 | 0.06872716 | 0.06583837 | 0.06313809 | 0.06192163 | 0.06166356 | 0.06107107 |
| 1.99837010 | 0.06986258 | 0.06965321 | 0.06863489 | 0.06573482 | 0.06302597 | 0.06180590 | 0.06154705 | 0.06094305 |
| 2.00090930 | 0.06977870 | 0.06956725 | 0.06854288 | 0.06563152 | 0.06291411 | 0.06169044 | 0.06143082 | 0.06081537 |
| 2.00344850 | 0.06969512 | 0.06948158 | 0.06845113 | 0.06552846 | 0.06280250 | 0.06157524 | 0.06131483 | 0.06068800 |
| 2.00598770 | 0.06961182 | 0.06939617 | 0.06835961 | 0.06542563 | 0.06269114 | 0.06146029 | 0.06119910 | 0.06056095 |
| 2.00852700 | 0.06952879 | 0.06931102 | 0.06826832 | 0.06532301 | 0.06258000 | 0.06134557 | 0.06108361 | 0.06043420 |
| 2.01106620 | 0.06944602 | 0.06922612 | 0.06817725 | 0.06522060 | 0.06246910 | 0.06123109 | 0.06096834 | 0.06030774 |
| 2.01360540 | 0.06936350 | 0.06914144 | 0.06808638 | 0.06511839 | 0.06235840 | 0.06111683 | 0.06085330 | 0.06018156 |
| 2.01614460 | 0.06928121 | 0.06905700 | 0.06799571 | 0.06501637 | 0.06224792 | 0.06100278 | 0.06073848 | 0.06005567 |
| 2.01868390 | 0.06919915 | 0.06897276 | 0.06790521 | 0.06491452 | 0.06213763 | 0.06088893 | 0.06062386 | 0.05993004 |
| 2.02122310 | 0.06911730 | 0.06888872 | 0.06781489 | 0.06481284 | 0.06202753 | 0.06077529 | 0.06050944 | 0.05980466 |
| 2.02376230 | 0.06903565 | 0.06880488 | 0.06772473 | 0.06471132 | 0.06191760 | 0.06066183 | 0.06039520 | 0.05967954 |
| 2.02630150 | 0.06895419 | 0.06872120 | 0.06763472 | 0.06460995 | 0.06180785 | 0.06054855 | 0.06028115 | 0.05955466 |
| 2.02884080 | 0.06887290 | 0.06863770 | 0.06754485 | 0.06450871 | 0.06169826 | 0.06043544 | 0.06016727 | 0.05943000 |
| 2.03138000 | 0.06879179 | 0.06855434 | 0.06745510 | 0.06440760 | 0.06158882 | 0.06032250 | 0.06005355 | 0.05930557 |
| 2.03391920 | 0.06871082 | 0.06847113 | 0.06736547 | 0.06430660 | 0.06147952 | 0.06020971 | 0.05993999 | 0.05918135 |
| 2.03645840 | 0.06863000 | 0.06838805 | 0.06727595 | 0.06420572 | 0.06137036 | 0.06009706 | 0.05982658 | 0.05905734 |
| 2.03899770 | 0.06854931 | 0.06830509 | 0.06718652 | 0.06410493 | 0.06126132 | 0.05998455 | 0.05971331 | 0.05893353 |
| 2.04153690 | 0.06846874 | 0.06822223 | 0.06709717 | 0.06400422 | 0.06115240 | 0.05987217 | 0.05960016 | 0.05880990 |
| 2.04407610 | 0.06838828 | 0.06813948 | 0.06700789 | 0.06390360 | 0.06104359 | 0.05975992 | 0.05948714 | 0.05868645 |
| 2.04661530 | 0.06830791 | 0.06805680 | 0.06691868 | 0.06380305 | 0.06093487 | 0.05964777 | 0.05937424 | 0.05856317 |
| 2.04915460 | 0.06822763 | 0.06797420 | 0.06682951 | 0.06370255 | 0.06082625 | 0.05953573 | 0.05926145 | 0.05844005 |
| 2.05169380 | 0.06814743 | 0.06789167 | 0.06674039 | 0.06360210 | 0.06071771 | 0.05942379 | 0.05914875 | 0.05831709 |
| 2.05423300 | 0.06806728 | 0.06780918 | 0.06665129 | 0.06350169 | 0.06060924 | 0.05931194 | 0.05903615 | 0.05819427 |
| 2.05677220 | 0.06798719 | 0.06772674 | 0.06656221 | 0.06340131 | 0.06050084 | 0.05920017 | 0.05892362 | 0.05807159 |
| 2.05931150 | 0.06790714 | 0.06764432 | 0.06647314 | 0.06330095 | 0.06039249 | 0.05908847 | 0.05881118 | 0.05794904 |
| 2.06185070 | 0.06782712 | 0.06756192 | 0.06638407 | 0.06320060 | 0.06028420 | 0.05897683 | 0.05869880 | 0.05782661 |
| 2.06438990 | 0.06774711 | 0.06747953 | 0.06629498 | 0.06310025 | 0.06017594 | 0.05886526 | 0.05858648 | 0.05770429 |
| 2.06692910 | 0.06766711 | 0.06739714 | 0.06620587 | 0.06299989 | 0.06006771 | 0.05875373 | 0.05847422 | 0.05758208 |
| 2.06946840 | 0.06758711 | 0.06731473 | 0.06611672 | 0.06289951 | 0.05995951 | 0.05864224 | 0.05836200 | 0.05745997 |
| 2.07200760 | 0.06750709 | 0.06723229 | 0.06602752 | 0.06279911 | 0.05985132 | 0.05853079 | 0.05824982 | 0.05733794 |
| 2.07454680 | 0.06742705 | 0.06714982 | 0.06593828 | 0.06269867 | 0.05974313 | 0.05841936 | 0.05813766 | 0.05721599 |
| 2.07708600 | 0.06734696 | 0.06706730 | 0.06584896 | 0.06259819 | 0.05963495 | 0.05830795 | 0.05802553 | 0.05709412 |
| 2.07962530 | 0.06726683 | 0.06698472 | 0.06575957 | 0.06249765 | 0.05952675 | 0.05819655 | 0.05791341 | 0.05697231 |
| 2.08216450 | 0.06718664 | 0.06690207 | 0.06567009 | 0.06239704 | 0.05941854 | 0.05808516 | 0.05780130 | 0.05685056 |
| 2.08470370 | 0.06710638 | 0.06681934 | 0.06558051 | 0.06229637 | 0.05931030 | 0.05797376 | 0.05768919 | 0.05672886 |
| 2.08724290 | 0.06702604 | 0.06673652 | 0.06549083 | 0.06219561 | 0.05920202 | 0.05786235 | 0.05757707 | 0.05660720 |
| 2.08978220 | 0.06694560 | 0.06665360 | 0.06540103 | 0.06209476 | 0.05909371 | 0.05775091 | 0.05746494 | 0.05648558 |
| 2.09232140 | 0.06686506 | 0.06657056 | 0.06531110 | 0.06199381 | 0.05898534 | 0.05763946 | 0.05735279 | 0.05636398 |
| 2.09486060 | 0.06678441 | 0.06648741 | 0.06522103 | 0.06189275 | 0.05887692 | 0.05752797 | 0.05724060 | 0.05624241 |
| 2.09739980 | 0.06670364 | 0.06640412 | 0.06513082 | 0.06179157 | 0.05876843 | 0.05741643 | 0.05712838 | 0.05612084 |
| 2.09993910 | 0.06662272 | 0.06632068 | 0.06504045 | 0.06169027 | 0.05865987 | 0.05730485 | 0.05701612 | 0.05599928 |
| 2.10247830 | 0.06654167 | 0.06623709 | 0.06494991 | 0.06158884 | 0.05855123 | 0.05719321 | 0.05690381 | 0.05587772 |
| 2.10501750 | 0.06646046 | 0.06615334 | 0.06485919 | 0.06148725 | 0.05844250 | 0.05708151 | 0.05679143 | 0.05575615 |
| 2.10755670 | 0.06637908 | 0.06606941 | 0.06476828 | 0.06138552 | 0.05833367 | 0.05696975 | 0.05667900 | 0.05563456 |
| 2.11009600 | 0.06629752 | 0.06598530 | 0.06467718 | 0.06128363 | 0.05822474 | 0.05685790 | 0.05656649 | 0.05551295 |
| 2.11263520 | 0.06621578 | 0.06590099 | 0.06458588 | 0.06118157 | 0.05811570 | 0.05674597 | 0.05645390 | 0.05539131 |
| 2.11517440 | 0.06613384 | 0.06581647 | 0.06449435 | 0.06107933 | 0.05800655 | 0.05663395 | 0.05634123 | 0.05526963 |
| 2.11771360 | 0.06605169 | 0.06573174 | 0.06440260 | 0.06097690 | 0.05789726 | 0.05652183 | 0.05622847 | 0.05514790 |
| 2.12025290 | 0.06596932 | 0.06564679 | 0.06431062 | 0.06087429 | 0.05778785 | 0.05640961 | 0.05611560 | 0.05502613 |
| 2.12279210 | 0.06588673 | 0.06556160 | 0.06421839 | 0.06077146 | 0.05767829 | 0.05629728 | 0.05600264 | 0.05490429 |
| 2.12533130 | 0.06580389 | 0.06547616 | 0.06412591 | 0.06066843 | 0.05756859 | 0.05618483 | 0.05588956 | 0.05478239 |
| 2.12787050 | 0.06572081 | 0.06539047 | 0.06403316 | 0.06056518 | 0.05745873 | 0.05607226 | 0.05577637 | 0.05466042 |
| 2.13040980 | 0.06563747 | 0.06530451 | 0.06394015 | 0.06046171 | 0.05734872 | 0.05595955 | 0.05566305 | 0.05453838 |
| 2.13294900 | 0.06555387 | 0.06521828 | 0.06384685 | 0.06035800 | 0.05723853 | 0.05584671 | 0.05554960 | 0.05441625 |
| 2.13548820 | 0.06546998 | 0.06513176 | 0.06375326 | 0.06025405 | 0.05712817 | 0.05573373 | 0.05543601 | 0.05429403 |
| 2.13802740 | 0.06538581 | 0.06504495 | 0.06365937 | 0.06014984 | 0.05701763 | 0.05562059 | 0.05532228 | 0.05417171 |
| 2.14056670 | 0.06530134 | 0.06495783 | 0.06356517 | 0.06004538 | 0.05690690 | 0.05550730 | 0.05520840 | 0.05404929 |
| 2.14310590 | 0.06521656 | 0.06487040 | 0.06347066 | 0.05994066 | 0.05679597 | 0.05539385 | 0.05509436 | 0.05392676 |
| 2.14564510 | 0.06513147 | 0.06478265 | 0.06337582 | 0.05983566 | 0.05668485 | 0.05528023 | 0.05498016 | 0.05380411 |
| 2.14818430 | 0.06504605 | 0.06469457 | 0.06328064 | 0.05973039 | 0.05657351 | 0.05516643 | 0.05486580 | 0.05368134 |
| 2.15072360 | 0.06496029 | 0.06460615 | 0.06318512 | 0.05962482 | 0.05646197 | 0.05505246 | 0.05475126 | 0.05355845 |
| 2.15326280 | 0.06487419 | 0.06451738 | 0.06308925 | 0.05951897 | 0.05635020 | 0.05493829 | 0.05463654 | 0.05343542 |
| 2.15580200 | 0.06478774 | 0.06442824 | 0.06299302 | 0.05941280 | 0.05623820 | 0.05482394 | 0.05452164 | 0.05331225 |
| 2.15834120 | 0.06470092 | 0.06433874 | 0.06289642 | 0.05930633 | 0.05612597 | 0.05470939 | 0.05440655 | 0.05318894 |
| 2.16088050 | 0.06461373 | 0.06424887 | 0.06279945 | 0.05919955 | 0.05601350 | 0.05459463 | 0.05429126 | 0.05306548 |
| 2.16341970 | 0.06452616 | 0.06415860 | 0.06270209 | 0.05909244 | 0.05590079 | 0.05447966 | 0.05417577 | 0.05294186 |
| 2.16595890 | 0.06443820 | 0.06406794 | 0.06260433 | 0.05898500 | 0.05578782 | 0.05436448 | 0.05406007 | 0.05281809 |
| 2.16849810 | 0.06434984 | 0.06397688 | 0.06250618 | 0.05887722 | 0.05567460 | 0.05424908 | 0.05394416 | 0.05269414 |
| 2.17103740 | 0.06426107 | 0.06388541 | 0.06240761 | 0.05876910 | 0.05556111 | 0.05413346 | 0.05382803 | 0.05257002 |
| 2.17357660 | 0.06417188 | 0.06379351 | 0.06230863 | 0.05866063 | 0.05544736 | 0.05401760 | 0.05371168 | 0.05244573 |
| 2.17611580 | 0.06408227 | 0.06370119 | 0.06220923 | 0.05855180 | 0.05533333 | 0.05390150 | 0.05359510 | 0.05232125 |
| 2.17865500 | 0.06399223 | 0.06360843 | 0.06210939 | 0.05844261 | 0.05521902 | 0.05378517 | 0.05347828 | 0.05219659 |
| 2.18119430 | 0.06390174 | 0.06351522 | 0.06200911 | 0.05833305 | 0.05510442 | 0.05366858 | 0.05336123 | 0.05207173 |
| 2.18373350 | 0.06381080 | 0.06342156 | 0.06190838 | 0.05822311 | 0.05498953 | 0.05355175 | 0.05324393 | 0.05194667 |
| 2.18627270 | 0.06371940 | 0.06332744 | 0.06180720 | 0.05811280 | 0.05487435 | 0.05343465 | 0.05312639 | 0.05182142 |
| 2.18881190 | 0.06362754 | 0.06323285 | 0.06170556 | 0.05800209 | 0.05475886 | 0.05331730 | 0.05300859 | 0.05169596 |
| 2.19135120 | 0.06353520 | 0.06313778 | 0.06160345 | 0.05789098 | 0.05464307 | 0.05319968 | 0.05289053 | 0.05157028 |
| 2.19389040 | 0.06344238 | 0.06304223 | 0.06150086 | 0.05777948 | 0.05452696 | 0.05308179 | 0.05277221 | 0.05144439 |
| 2.19642960 | 0.06334906 | 0.06294618 | 0.06139778 | 0.05766757 | 0.05441054 | 0.05296362 | 0.05265363 | 0.05131827 |
| 2.19896880 | 0.06325525 | 0.06284963 | 0.06129422 | 0.05755525 | 0.05429380 | 0.05284517 | 0.05253477 | 0.05119194 |
| 2.20150810 | 0.06316093 | 0.06275258 | 0.06119016 | 0.05744251 | 0.05417672 | 0.05272643 | 0.05241563 | 0.05106537 |
| 2.20404730 | 0.06306609 | 0.06265500 | 0.06108559 | 0.05732935 | 0.05405932 | 0.05260741 | 0.05229621 | 0.05093857 |
| 2.20658650 | 0.06297073 | 0.06255691 | 0.06098051 | 0.05721576 | 0.05394158 | 0.05248809 | 0.05217651 | 0.05081153 |
| 2.20912570 | 0.06287485 | 0.06245828 | 0.06087492 | 0.05710173 | 0.05382350 | 0.05236847 | 0.05205652 | 0.05068425 |
| 2.21166500 | 0.06277842 | 0.06235912 | 0.06076880 | 0.05698727 | 0.05370507 | 0.05224855 | 0.05193624 | 0.05055673 |
| 2.21420420 | 0.06268146 | 0.06225941 | 0.06066216 | 0.05687236 | 0.05358629 | 0.05212833 | 0.05181566 | 0.05042895 |
| 2.21674340 | 0.06258394 | 0.06215916 | 0.06055497 | 0.05675700 | 0.05346716 | 0.05200779 | 0.05169478 | 0.05030092 |
| 2.21928260 | 0.06248586 | 0.06205834 | 0.06044725 | 0.05664119 | 0.05334767 | 0.05188694 | 0.05157359 | 0.05017264 |
| 2.22182190 | 0.06238722 | 0.06195696 | 0.06033897 | 0.05652492 | 0.05322781 | 0.05176577 | 0.05145209 | 0.05004409 |
| 2.22436110 | 0.06228800 | 0.06185501 | 0.06023015 | 0.05640818 | 0.05310759 | 0.05164428 | 0.05133029 | 0.04991528 |
| 2.22690030 | 0.06218821 | 0.06175248 | 0.06012076 | 0.05629097 | 0.05298700 | 0.05152246 | 0.05120816 | 0.04978620 |
| 2.22943950 | 0.06208783 | 0.06164937 | 0.06001081 | 0.05617329 | 0.05286604 | 0.05140031 | 0.05108572 | 0.04965685 |
| 2.23197880 | 0.06198686 | 0.06154567 | 0.05990028 | 0.05605513 | 0.05274469 | 0.05127783 | 0.05096295 | 0.04952723 |
| 2.23451800 | 0.06188530 | 0.06144137 | 0.05978918 | 0.05593650 | 0.05262297 | 0.05115502 | 0.05083986 | 0.04939733 |
| 2.23705720 | 0.06178312 | 0.06133647 | 0.05967750 | 0.05581737 | 0.05250085 | 0.05103186 | 0.05071643 | 0.04926714 |
| 2.23959640 | 0.06168034 | 0.06123096 | 0.05956523 | 0.05569775 | 0.05237835 | 0.05090836 | 0.05059268 | 0.04913668 |
| 2.24213570 | 0.06157694 | 0.06112483 | 0.05945237 | 0.05557764 | 0.05225546 | 0.05078452 | 0.05046859 | 0.04900593 |
| 2.24467490 | 0.06147292 | 0.06101809 | 0.05933891 | 0.05545703 | 0.05213217 | 0.05066033 | 0.05034416 | 0.04887489 |
| 2.24721410 | 0.06136827 | 0.06091072 | 0.05922485 | 0.05533592 | 0.05200848 | 0.05053578 | 0.05021938 | 0.04874356 |
| 2.24975330 | 0.06126299 | 0.06080272 | 0.05911018 | 0.05521430 | 0.05188438 | 0.05041088 | 0.05009427 | 0.04861193 |
| 2.25229260 | 0.06115706 | 0.06069408 | 0.05899490 | 0.05509217 | 0.05175989 | 0.05028563 | 0.04996880 | 0.04848001 |
| 2.25483180 | 0.06105050 | 0.06058481 | 0.05887901 | 0.05496953 | 0.05163498 | 0.05016001 | 0.04984299 | 0.04834778 |
| 2.25737100 | 0.06094328 | 0.06047488 | 0.05876249 | 0.05484637 | 0.05150967 | 0.05003403 | 0.04971682 | 0.04821526 |
| 2.25991020 | 0.06083540 | 0.06036431 | 0.05864536 | 0.05472269 | 0.05138394 | 0.04990768 | 0.04959030 | 0.04808243 |
| 2.26244950 | 0.06072687 | 0.06025308 | 0.05852759 | 0.05459849 | 0.05125779 | 0.04978097 | 0.04946342 | 0.04794930 |
| 2.26498870 | 0.06061767 | 0.06014119 | 0.05840919 | 0.05447377 | 0.05113123 | 0.04965389 | 0.04933619 | 0.04781586 |
| 2.26752790 | 0.06050780 | 0.06002863 | 0.05829015 | 0.05434851 | 0.05100424 | 0.04952643 | 0.04920859 | 0.04768211 |
| 2.27006710 | 0.06039725 | 0.05991541 | 0.05817048 | 0.05422272 | 0.05087683 | 0.04939860 | 0.04908063 | 0.04754805 |
| 2.27260640 | 0.06028603 | 0.05980151 | 0.05805016 | 0.05409640 | 0.05074900 | 0.04927040 | 0.04895230 | 0.04741368 |
| 2.27514560 | 0.06017412 | 0.05968693 | 0.05792920 | 0.05396955 | 0.05062074 | 0.04914181 | 0.04882360 | 0.04727899 |
| 2.27768480 | 0.06006152 | 0.05957167 | 0.05780758 | 0.05384215 | 0.05049204 | 0.04901285 | 0.04869454 | 0.04714398 |
| 2.28022400 | 0.05994823 | 0.05945572 | 0.05768531 | 0.05371421 | 0.05036292 | 0.04888350 | 0.04856510 | 0.04700866 |
| 2.28276330 | 0.05983425 | 0.05933908 | 0.05756238 | 0.05358573 | 0.05023337 | 0.04875378 | 0.04843529 | 0.04687301 |
| 2.28530250 | 0.05971956 | 0.05922175 | 0.05743880 | 0.05345670 | 0.05010337 | 0.04862366 | 0.04830511 | 0.04673705 |
| 2.28784170 | 0.05960417 | 0.05910372 | 0.05731455 | 0.05332712 | 0.04997294 | 0.04849316 | 0.04817455 | 0.04660077 |
| 2.29038090 | 0.05948806 | 0.05898499 | 0.05718963 | 0.05319700 | 0.04984208 | 0.04836228 | 0.04804362 | 0.04646416 |
| 2.29292020 | 0.05937125 | 0.05886556 | 0.05706405 | 0.05306632 | 0.04971077 | 0.04823100 | 0.04791231 | 0.04632723 |
| 2.29545940 | 0.05925373 | 0.05874542 | 0.05693780 | 0.05293509 | 0.04957902 | 0.04809933 | 0.04778061 | 0.04618998 |
| 2.29799860 | 0.05913548 | 0.05862457 | 0.05681088 | 0.05280330 | 0.04944684 | 0.04796727 | 0.04764854 | 0.04605240 |
| 2.30053780 | 0.05901651 | 0.05850301 | 0.05668328 | 0.05267096 | 0.04931420 | 0.04783482 | 0.04751609 | 0.04591450 |
| 2.30307710 | 0.05889682 | 0.05838073 | 0.05655500 | 0.05253807 | 0.04918113 | 0.04770198 | 0.04738326 | 0.04577627 |
| 2.30561630 | 0.05877640 | 0.05825773 | 0.05642605 | 0.05240461 | 0.04904761 | 0.04756875 | 0.04725004 | 0.04563771 |
| 2.30815550 | 0.05865525 | 0.05813401 | 0.05629641 | 0.05227059 | 0.04891364 | 0.04743511 | 0.04711644 | 0.04549883 |
| 2.31069470 | 0.05853337 | 0.05800957 | 0.05616609 | 0.05213602 | 0.04877923 | 0.04730109 | 0.04698246 | 0.04535962 |
| 2.31323400 | 0.05841076 | 0.05788440 | 0.05603509 | 0.05200088 | 0.04864437 | 0.04716667 | 0.04684809 | 0.04522008 |
| 2.31577320 | 0.05828740 | 0.05775851 | 0.05590341 | 0.05186518 | 0.04850907 | 0.04703185 | 0.04671334 | 0.04508022 |
| 2.31831240 | 0.05816330 | 0.05763189 | 0.05577104 | 0.05172892 | 0.04837331 | 0.04689664 | 0.04657820 | 0.04494003 |
| 2.32085160 | 0.05803847 | 0.05750453 | 0.05563798 | 0.05159209 | 0.04823711 | 0.04676103 | 0.04644268 | 0.04479951 |
| 2.32339090 | 0.05791289 | 0.05737644 | 0.05550423 | 0.05145471 | 0.04810047 | 0.04662503 | 0.04630677 | 0.04465867 |
| 2.32593010 | 0.05778656 | 0.05724762 | 0.05536979 | 0.05131676 | 0.04796337 | 0.04648863 | 0.04617048 | 0.04451749 |
| 2.32846930 | 0.05765949 | 0.05711806 | 0.05523467 | 0.05117825 | 0.04782583 | 0.04635183 | 0.04603381 | 0.04437600 |
| 2.33100850 | 0.05753167 | 0.05698777 | 0.05509885 | 0.05103917 | 0.04768783 | 0.04621464 | 0.04589675 | 0.04423418 |
| 2.33354780 | 0.05740310 | 0.05685673 | 0.05496234 | 0.05089953 | 0.04754940 | 0.04607705 | 0.04575930 | 0.04409203 |
| 2.33608700 | 0.05727377 | 0.05672496 | 0.05482514 | 0.05075933 | 0.04741051 | 0.04593907 | 0.04562147 | 0.04394956 |
| 2.33862620 | 0.05714370 | 0.05659245 | 0.05468725 | 0.05061857 | 0.04727118 | 0.04580069 | 0.04548326 | 0.04380676 |
| 2.34116540 | 0.05701287 | 0.05645920 | 0.05454867 | 0.05047724 | 0.04713140 | 0.04566192 | 0.04534467 | 0.04366365 |
| 2.34370470 | 0.05688129 | 0.05632521 | 0.05440940 | 0.05033536 | 0.04699118 | 0.04552276 | 0.04520569 | 0.04352021 |
| 2.34624390 | 0.05674895 | 0.05619047 | 0.05426943 | 0.05019291 | 0.04685052 | 0.04538320 | 0.04506633 | 0.04337645 |
| 2.34878310 | 0.05661586 | 0.05605500 | 0.05412878 | 0.05004991 | 0.04670941 | 0.04524326 | 0.04492660 | 0.04323238 |
| 2.35132230 | 0.05648202 | 0.05591878 | 0.05398744 | 0.04990634 | 0.04656786 | 0.04510292 | 0.04478648 | 0.04308799 |
| 2.35386160 | 0.05634741 | 0.05578182 | 0.05384540 | 0.04976222 | 0.04642587 | 0.04496219 | 0.04464599 | 0.04294328 |
| 2.35640080 | 0.05621205 | 0.05564412 | 0.05370268 | 0.04961755 | 0.04628344 | 0.04482108 | 0.04450512 | 0.04279825 |
| 2.35894000 | 0.05607594 | 0.05550568 | 0.05355927 | 0.04947232 | 0.04614057 | 0.04467958 | 0.04436387 | 0.04265291 |
| 2.36147920 | 0.05593907 | 0.05536649 | 0.05341518 | 0.04932654 | 0.04599727 | 0.04453769 | 0.04422225 | 0.04250727 |
| 2.36401850 | 0.05580144 | 0.05522657 | 0.05327040 | 0.04918020 | 0.04585353 | 0.04439542 | 0.04408026 | 0.04236131 |
| 2.36655770 | 0.05566306 | 0.05508591 | 0.05312493 | 0.04903332 | 0.04570936 | 0.04425277 | 0.04393790 | 0.04221504 |
| 2.36909690 | 0.05552393 | 0.05494451 | 0.05297879 | 0.04888589 | 0.04556475 | 0.04410974 | 0.04379516 | 0.04206847 |
| 2.37163610 | 0.05538404 | 0.05480237 | 0.05283196 | 0.04873791 | 0.04541972 | 0.04396633 | 0.04365206 | 0.04192160 |
| 2.37417540 | 0.05524340 | 0.05465950 | 0.05268446 | 0.04858940 | 0.04527426 | 0.04382254 | 0.04350860 | 0.04177442 |
| 2.37671460 | 0.05510201 | 0.05451589 | 0.05253627 | 0.04844034 | 0.04512837 | 0.04367837 | 0.04336477 | 0.04162695 |
| 2.37925380 | 0.05495987 | 0.05437155 | 0.05238742 | 0.04829074 | 0.04498206 | 0.04353384 | 0.04322058 | 0.04147918 |
| 2.38179300 | 0.05481698 | 0.05422648 | 0.05223789 | 0.04814061 | 0.04483533 | 0.04338893 | 0.04307602 | 0.04133111 |
| 2.38433230 | 0.05467335 | 0.05408067 | 0.05208769 | 0.04798994 | 0.04468818 | 0.04324366 | 0.04293112 | 0.04118275 |
| 2.38687150 | 0.05452896 | 0.05393414 | 0.05193682 | 0.04783874 | 0.04454061 | 0.04309802 | 0.04278585 | 0.04103410 |
| 2.38941070 | 0.05438384 | 0.05378688 | 0.05178528 | 0.04768701 | 0.04439264 | 0.04295201 | 0.04264024 | 0.04088517 |
| 2.39194990 | 0.05423797 | 0.05363890 | 0.05163309 | 0.04753476 | 0.04424425 | 0.04280565 | 0.04249427 | 0.04073595 |
| 2.39448920 | 0.05409136 | 0.05349020 | 0.05148023 | 0.04738199 | 0.04409545 | 0.04265893 | 0.04234796 | 0.04058645 |
| 2.39702840 | 0.05394402 | 0.05334077 | 0.05132672 | 0.04722870 | 0.04394624 | 0.04251185 | 0.04220130 | 0.04043668 |
| 2.39956760 | 0.05379594 | 0.05319064 | 0.05117255 | 0.04707489 | 0.04379664 | 0.04236442 | 0.04205430 | 0.04028662 |
| 2.40210680 | 0.05364712 | 0.05303978 | 0.05101773 | 0.04692057 | 0.04364663 | 0.04221664 | 0.04190696 | 0.04013630 |
| 2.40464610 | 0.05349758 | 0.05288822 | 0.05086226 | 0.04676574 | 0.04349623 | 0.04206851 | 0.04175929 | 0.03998571 |
| 2.40718530 | 0.05334731 | 0.05273595 | 0.05070616 | 0.04661040 | 0.04334544 | 0.04192004 | 0.04161128 | 0.03983485 |
| 2.40972450 | 0.05319631 | 0.05258297 | 0.05054941 | 0.04645457 | 0.04319425 | 0.04177122 | 0.04146294 | 0.03968373 |
| 2.41226370 | 0.05304460 | 0.05242929 | 0.05039202 | 0.04629823 | 0.04304268 | 0.04162207 | 0.04131428 | 0.03953235 |
| 2.41480300 | 0.05289216 | 0.05227491 | 0.05023400 | 0.04614141 | 0.04289073 | 0.04147259 | 0.04116529 | 0.03938072 |
| 2.41734220 | 0.05273901 | 0.05211984 | 0.05007536 | 0.04598409 | 0.04273840 | 0.04132277 | 0.04101598 | 0.03922884 |
| 2.41988140 | 0.05258515 | 0.05196407 | 0.04991609 | 0.04582629 | 0.04258570 | 0.04117263 | 0.04086636 | 0.03907671 |
| 2.42242060 | 0.05243057 | 0.05180762 | 0.04975620 | 0.04566801 | 0.04243262 | 0.04102217 | 0.04071642 | 0.03892433 |
| 2.42495990 | 0.05227530 | 0.05165049 | 0.04959569 | 0.04550925 | 0.04227918 | 0.04087138 | 0.04056617 | 0.03877171 |
| 2.42749910 | 0.05211932 | 0.05149267 | 0.04943457 | 0.04535002 | 0.04212537 | 0.04072028 | 0.04041562 | 0.03861886 |
| 2.43003830 | 0.05196265 | 0.05133418 | 0.04927285 | 0.04519032 | 0.04197121 | 0.04056887 | 0.04026477 | 0.03846578 |
| 2.43257750 | 0.05180528 | 0.05117502 | 0.04911052 | 0.04503016 | 0.04181669 | 0.04041715 | 0.04011361 | 0.03831246 |
| 2.43511680 | 0.05164723 | 0.05101519 | 0.04894760 | 0.04486953 | 0.04166182 | 0.04026512 | 0.03996216 | 0.03815893 |
| 2.43765600 | 0.05148849 | 0.05085471 | 0.04878408 | 0.04470846 | 0.04150660 | 0.04011279 | 0.03981043 | 0.03800517 |
| 2.44019520 | 0.05132908 | 0.05069356 | 0.04861998 | 0.04454694 | 0.04135104 | 0.03996017 | 0.03965840 | 0.03785120 |
| 2.44273440 | 0.05116898 | 0.05053176 | 0.04845530 | 0.04438497 | 0.04119515 | 0.03980726 | 0.03950610 | 0.03769702 |
| 2.44527370 | 0.05100822 | 0.05036931 | 0.04829003 | 0.04422257 | 0.04103892 | 0.03965406 | 0.03935351 | 0.03754263 |
| 2.44781290 | 0.05084679 | 0.05020622 | 0.04812420 | 0.04405973 | 0.04088236 | 0.03950057 | 0.03920066 | 0.03738803 |
| 2.45035210 | 0.05068470 | 0.05004250 | 0.04795781 | 0.04389647 | 0.04072548 | 0.03934681 | 0.03904753 | 0.03723324 |
| 2.45289130 | 0.05052196 | 0.04987814 | 0.04779085 | 0.04373278 | 0.04056829 | 0.03919277 | 0.03889414 | 0.03707826 |
| 2.45543060 | 0.05035857 | 0.04971315 | 0.04762334 | 0.04356868 | 0.04041078 | 0.03903847 | 0.03874049 | 0.03692309 |
| 2.45796980 | 0.05019453 | 0.04954755 | 0.04745528 | 0.04340417 | 0.04025295 | 0.03888389 | 0.03858659 | 0.03676774 |
| 2.46050900 | 0.05002985 | 0.04938132 | 0.04728668 | 0.04323925 | 0.04009483 | 0.03872906 | 0.03843243 | 0.03661220 |
| 2.46304820 | 0.04986454 | 0.04921449 | 0.04711754 | 0.04307393 | 0.03993641 | 0.03857398 | 0.03827803 | 0.03645650 |
| 2.46558750 | 0.04969860 | 0.04904706 | 0.04694788 | 0.04290822 | 0.03977770 | 0.03841864 | 0.03812339 | 0.03630062 |
| 2.46812670 | 0.04953204 | 0.04887903 | 0.04677768 | 0.04274212 | 0.03961870 | 0.03826306 | 0.03796851 | 0.03614458 |
| 2.47066590 | 0.04936486 | 0.04871040 | 0.04660698 | 0.04257564 | 0.03945941 | 0.03810723 | 0.03781340 | 0.03598838 |
| 2.47320510 | 0.04919707 | 0.04854119 | 0.04643576 | 0.04240878 | 0.03929985 | 0.03795117 | 0.03765807 | 0.03583203 |
| 2.47574440 | 0.04902868 | 0.04837140 | 0.04626404 | 0.04224156 | 0.03914002 | 0.03779489 | 0.03750251 | 0.03567553 |
| 2.47828360 | 0.04885969 | 0.04820104 | 0.04609182 | 0.04207397 | 0.03897992 | 0.03763837 | 0.03734674 | 0.03551889 |
| 2.48082280 | 0.04869011 | 0.04803011 | 0.04591911 | 0.04190603 | 0.03881957 | 0.03748164 | 0.03719076 | 0.03536210 |
| 2.48336200 | 0.04851995 | 0.04785863 | 0.04574592 | 0.04173774 | 0.03865895 | 0.03732469 | 0.03703457 | 0.03520519 |
| 2.48590130 | 0.04834921 | 0.04768659 | 0.04557225 | 0.04156910 | 0.03849809 | 0.03716754 | 0.03687818 | 0.03504815 |
| 2.48844050 | 0.04817789 | 0.04751400 | 0.04539811 | 0.04140013 | 0.03833699 | 0.03701018 | 0.03672160 | 0.03489099 |
| 2.49097970 | 0.04800601 | 0.04734088 | 0.04522351 | 0.04123083 | 0.03817565 | 0.03685262 | 0.03656483 | 0.03473371 |
| 2.49351890 | 0.04783358 | 0.04716722 | 0.04504845 | 0.04106120 | 0.03801408 | 0.03669488 | 0.03640787 | 0.03457632 |
| 2.49605820 | 0.04766059 | 0.04699304 | 0.04487295 | 0.04089126 | 0.03785229 | 0.03653694 | 0.03625074 | 0.03441882 |
| 2.49859740 | 0.04748706 | 0.04681834 | 0.04469700 | 0.04072101 | 0.03769027 | 0.03637882 | 0.03609343 | 0.03426123 |
| 2.50113660 | 0.04731299 | 0.04664314 | 0.04452063 | 0.04055046 | 0.03752805 | 0.03622053 | 0.03593596 | 0.03410354 |
| 2.50367580 | 0.04713840 | 0.04646742 | 0.04434383 | 0.04037961 | 0.03736562 | 0.03606207 | 0.03577832 | 0.03394576 |
| 2.50621510 | 0.04696328 | 0.04629122 | 0.04416661 | 0.04020848 | 0.03720299 | 0.03590345 | 0.03562053 | 0.03378790 |
| 2.50875430 | 0.04678765 | 0.04611453 | 0.04398898 | 0.04003706 | 0.03704016 | 0.03574467 | 0.03546259 | 0.03362997 |
| 2.51129350 | 0.04661151 | 0.04593736 | 0.04381095 | 0.03986537 | 0.03687715 | 0.03558574 | 0.03530451 | 0.03347196 |
| 2.51383270 | 0.04643487 | 0.04575971 | 0.04363253 | 0.03969342 | 0.03671395 | 0.03542666 | 0.03514629 | 0.03331389 |
| 2.51637200 | 0.04625775 | 0.04558160 | 0.04345372 | 0.03952120 | 0.03655059 | 0.03526744 | 0.03498794 | 0.03315576 |
| 2.51891120 | 0.04608014 | 0.04540304 | 0.04327454 | 0.03934874 | 0.03638705 | 0.03510809 | 0.03482946 | 0.03299758 |
| 2.52145040 | 0.04590205 | 0.04522403 | 0.04309498 | 0.03917603 | 0.03622336 | 0.03494861 | 0.03467086 | 0.03283935 |
| 2.52398960 | 0.04572350 | 0.04504458 | 0.04291507 | 0.03900309 | 0.03605951 | 0.03478901 | 0.03451215 | 0.03268108 |
| 2.52652890 | 0.04554449 | 0.04486470 | 0.04273480 | 0.03882991 | 0.03589551 | 0.03462930 | 0.03435333 | 0.03252277 |
| 2.52906810 | 0.04536503 | 0.04468439 | 0.04255419 | 0.03865652 | 0.03573137 | 0.03446948 | 0.03419441 | 0.03236444 |
| 2.53160730 | 0.04518512 | 0.04450367 | 0.04237324 | 0.03848291 | 0.03556709 | 0.03430955 | 0.03403539 | 0.03220609 |
| 2.53414650 | 0.04500478 | 0.04432255 | 0.04219196 | 0.03830910 | 0.03540269 | 0.03414953 | 0.03387629 | 0.03204771 |
| 2.53668580 | 0.04482402 | 0.04414103 | 0.04201037 | 0.03813508 | 0.03523817 | 0.03398942 | 0.03371710 | 0.03188933 |
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R* :var tmp_data=tab-on-top
breaks <- c("0.00", "0.25", "0.50", "1.00", "2.00", "5.00", "$\\infty$", "Jastrow")
data.0 <- data.frame(mu=breaks[1], x=tmp_data$R, n=tmp_data$X0.0)
data.0.25 <- data.frame(mu=breaks[2], x=tmp_data$R, n=tmp_data$X0.25)
data.0.5 <- data.frame(mu=breaks[3], x=tmp_data$R, n=tmp_data$X0.5)
data.1.0 <- data.frame(mu=breaks[4], x=tmp_data$R, n=tmp_data$X1.0)
data.2.0 <- data.frame(mu=breaks[5], x=tmp_data$R, n=tmp_data$X2.0)
data.5.0 <- data.frame(mu=breaks[6], x=tmp_data$R, n=tmp_data$X5.0)
data.inf <- data.frame(mu=breaks[7], x=tmp_data$R, n=tmp_data$Inf.)
data.J <- data.frame(mu=breaks[8], x=tmp_data$R, n=tmp_data$Jastrow)
data <- rbind(data.0, data.0.25, data.0.5, data.1.0, data.2.0, data.5.0, data.inf)
labels= TeX(breaks)
labels[1] <- TeX("\u00B5=$0.00$, $<P>=1.443$")
labels[2] <- TeX("\u00B5=$0.25$, $<P>=1.438$")
labels[3] <- TeX("\u00B5=$0.50$, $<P>=1.423$")
labels[4] <- TeX("\u00B5=$1.00$, $<P>=1.378$")
labels[5] <- TeX("\u00B5=$2.00$, $<P>=1.325$")
labels[6] <- TeX("\u00B5=$5.00$, $<P>=1.288$")
labels[7] <- TeX("\u00B5=\\infty, $<P>=1.277$")
labels[8] <- TeX("Jastrow $<P>=1.404$")
p <- ggplot(data, aes(x=x, y=n, col=mu))
p <- p + geom_line(lwd=1.5)
p <- p + geom_line(data=data.J, lwd=1, col=1, linetype="dashed")
p <- p + scale_colour_discrete(name = "", breaks = breaks,
labels = labels)
p <- p + scale_x_continuous(name=TeX("$r_{O-H}$ (bohr)"))
p <- p + scale_y_continuous(name = "On-top pair density (a.u.)")
p <- p + theme(text = element_text(size = 20, family="Times"),
legend.title=element_blank(),
legend.position=c(.81,.75), legend.text.align = 0)
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figureLy8Vo3.png]]
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/on-top-mu.pdf", family="Times", width=8, height=5)
p
dev.off()
#+end_src
** One-body density
#+NAME:tab-density
| R | 0.0 | 0.25 | 0.5 | 1.0 | 2.0 | 5.0 | Inf. | Jastrow |
|------------+------------+------------+------------+------------+------------+------------+--------------+------------|
| 0.00000000 | 0.16322898 | 0.16250583 | 0.16140937 | 0.16216370 | 0.16328150 | 0.16323476 | 0.1630753669 | 0.16322898 |
| 0.00253922 | 0.16261909 | 0.16189031 | 0.16078585 | 0.16154883 | 0.16267047 | 0.16262202 | 0.1624621910 | 0.16261909 |
| 0.00507845 | 0.16214857 | 0.16141450 | 0.16030269 | 0.16107435 | 0.16219954 | 0.16214935 | 0.1619891262 | 0.16214857 |
| 0.00761767 | 0.16181743 | 0.16107841 | 0.15995988 | 0.16074028 | 0.16186871 | 0.16181675 | 0.1616561706 | 0.16181743 |
| 0.01015690 | 0.16162559 | 0.16088196 | 0.15975735 | 0.16054653 | 0.16167790 | 0.16162416 | 0.1614632530 | 0.16162559 |
| 0.01269613 | 0.16157292 | 0.16082502 | 0.15969498 | 0.16049298 | 0.16162698 | 0.16157143 | 0.1614102332 | 0.16157292 |
| 0.01523535 | 0.16165922 | 0.16090738 | 0.15977255 | 0.16057940 | 0.16171573 | 0.16165835 | 0.1614969023 | 0.16165922 |
| 0.01777458 | 0.16188421 | 0.16112877 | 0.15998978 | 0.16080553 | 0.16194388 | 0.16188465 | 0.1617229829 | 0.16188421 |
| 0.02031380 | 0.16224754 | 0.16148885 | 0.16034634 | 0.16117102 | 0.16231109 | 0.16224997 | 0.1620881292 | 0.16224754 |
| 0.02285302 | 0.16274882 | 0.16198720 | 0.16084181 | 0.16167546 | 0.16281694 | 0.16275392 | 0.1625919275 | 0.16274882 |
| 0.02539225 | 0.16338756 | 0.16262336 | 0.16147571 | 0.16231836 | 0.16346095 | 0.16339600 | 0.1632338967 | 0.16338757 |
| 0.02793148 | 0.16416323 | 0.16339677 | 0.16224750 | 0.16309917 | 0.16424257 | 0.16417566 | 0.1640134887 | 0.16416323 |
| 0.03047070 | 0.16507521 | 0.16430684 | 0.16315657 | 0.16401729 | 0.16516119 | 0.16509230 | 0.1649300888 | 0.16507521 |
| 0.03300993 | 0.16612283 | 0.16535287 | 0.16420222 | 0.16507203 | 0.16621613 | 0.16614524 | 0.1659830164 | 0.16612283 |
| 0.03554915 | 0.16730536 | 0.16653413 | 0.16538373 | 0.16626265 | 0.16740664 | 0.16733372 | 0.1671715258 | 0.16730536 |
| 0.03808838 | 0.16862198 | 0.16784983 | 0.16670027 | 0.16758832 | 0.16873192 | 0.16865695 | 0.1684948065 | 0.16862198 |
| 0.04062760 | 0.17007184 | 0.16929908 | 0.16815099 | 0.16904819 | 0.17019108 | 0.17011403 | 0.1699519844 | 0.17007184 |
| 0.04316682 | 0.17165400 | 0.17088095 | 0.16973493 | 0.17064131 | 0.17178320 | 0.17170405 | 0.1715421221 | 0.17165400 |
| 0.04570605 | 0.17336747 | 0.17259446 | 0.17145111 | 0.17236668 | 0.17350728 | 0.17342599 | 0.1732642204 | 0.17336747 |
| 0.04824527 | 0.17521121 | 0.17443855 | 0.17329846 | 0.17422324 | 0.17536225 | 0.17527880 | 0.1751172185 | 0.17521121 |
| 0.05078450 | 0.17718410 | 0.17641211 | 0.17527586 | 0.17620986 | 0.17734700 | 0.17726136 | 0.1770999955 | 0.17718410 |
| 0.05332373 | 0.17928497 | 0.17851395 | 0.17738214 | 0.17832537 | 0.17946034 | 0.17937249 | 0.1792113711 | 0.17928497 |
| 0.05586295 | 0.18151259 | 0.18074286 | 0.17961605 | 0.18056853 | 0.18170104 | 0.18161095 | 0.1814501068 | 0.18151259 |
| 0.05840218 | 0.18386567 | 0.18309754 | 0.18197630 | 0.18293803 | 0.18406780 | 0.18397544 | 0.1838149070 | 0.18386567 |
| 0.06094140 | 0.18634288 | 0.18557664 | 0.18446154 | 0.18543253 | 0.18655928 | 0.18646462 | 0.1863044199 | 0.18634289 |
| 0.06348062 | 0.18894283 | 0.18817877 | 0.18707036 | 0.18805062 | 0.18917406 | 0.18907708 | 0.1889172390 | 0.18894283 |
| 0.06601985 | 0.19166405 | 0.19090248 | 0.18980131 | 0.19079083 | 0.19191069 | 0.19181136 | 0.1916519043 | 0.19166405 |
| 0.06855907 | 0.19450506 | 0.19374625 | 0.19265286 | 0.19365165 | 0.19476766 | 0.19466594 | 0.1945069031 | 0.19450506 |
| 0.07109830 | 0.19746430 | 0.19670855 | 0.19562346 | 0.19663152 | 0.19774340 | 0.19763927 | 0.1974806720 | 0.19746430 |
| 0.07363752 | 0.20054016 | 0.19978775 | 0.19871149 | 0.19972882 | 0.20083630 | 0.20072974 | 0.2005715978 | 0.20054016 |
| 0.07617675 | 0.20373101 | 0.20298221 | 0.20191529 | 0.20294188 | 0.20404470 | 0.20393567 | 0.2037780188 | 0.20373101 |
| 0.07871597 | 0.20703514 | 0.20629022 | 0.20523315 | 0.20626900 | 0.20736689 | 0.20725537 | 0.2070982265 | 0.20703514 |
| 0.08125520 | 0.21045081 | 0.20971004 | 0.20866332 | 0.20970841 | 0.21080113 | 0.21068707 | 0.2105304669 | 0.21045081 |
| 0.08379443 | 0.21397624 | 0.21323989 | 0.21220400 | 0.21325832 | 0.21434560 | 0.21422899 | 0.2140729418 | 0.21397624 |
| 0.08633365 | 0.21760960 | 0.21687792 | 0.21585334 | 0.21691689 | 0.21799849 | 0.21787929 | 0.2177238107 | 0.21760960 |
| 0.08887288 | 0.22134903 | 0.22062227 | 0.21960947 | 0.22068222 | 0.22175789 | 0.22163607 | 0.2214811919 | 0.22134903 |
| 0.09141210 | 0.22519261 | 0.22447102 | 0.22347045 | 0.22455240 | 0.22562190 | 0.22549743 | 0.2253431643 | 0.22519261 |
| 0.09395133 | 0.22913841 | 0.22842223 | 0.22743434 | 0.22852547 | 0.22958855 | 0.22946140 | 0.2293077686 | 0.22913841 |
| 0.09649055 | 0.23318443 | 0.23247390 | 0.23149913 | 0.23259941 | 0.23365585 | 0.23352599 | 0.2333730096 | 0.23318443 |
| 0.09902978 | 0.23732867 | 0.23662402 | 0.23566280 | 0.23677221 | 0.23782177 | 0.23768918 | 0.2375368570 | 0.23732867 |
| 0.10156900 | 0.24156908 | 0.24087053 | 0.23992327 | 0.24104180 | 0.24208426 | 0.24194888 | 0.2417972474 | 0.24156908 |
| 0.10410822 | 0.24590357 | 0.24521135 | 0.24427845 | 0.24540607 | 0.24644120 | 0.24630303 | 0.2461520860 | 0.24590358 |
| 0.10664745 | 0.25033004 | 0.24964436 | 0.24872622 | 0.24986290 | 0.25089049 | 0.25074948 | 0.2505992481 | 0.25033005 |
| 0.10918667 | 0.25484635 | 0.25416741 | 0.25326441 | 0.25441013 | 0.25542997 | 0.25528609 | 0.2551365809 | 0.25484635 |
| 0.11172590 | 0.25945034 | 0.25877835 | 0.25789086 | 0.25904558 | 0.26005747 | 0.25991068 | 0.2597619047 | 0.25945034 |
| 0.11426512 | 0.26413981 | 0.26347496 | 0.26260335 | 0.26376704 | 0.26477077 | 0.26462105 | 0.2644730153 | 0.26413981 |
| 0.11680435 | 0.26891255 | 0.26825504 | 0.26739965 | 0.26857228 | 0.26956765 | 0.26941496 | 0.2692676850 | 0.26891255 |
| 0.11934357 | 0.27376633 | 0.27311634 | 0.27227751 | 0.27345905 | 0.27444587 | 0.27429018 | 0.2741436648 | 0.27376633 |
| 0.12188280 | 0.27869890 | 0.27805660 | 0.27723466 | 0.27842507 | 0.27940315 | 0.27924443 | 0.2790986858 | 0.27869890 |
| 0.12442202 | 0.28370799 | 0.28307355 | 0.28226882 | 0.28346805 | 0.28443721 | 0.28427542 | 0.2841304606 | 0.28370799 |
| 0.12696125 | 0.28879130 | 0.28816490 | 0.28737766 | 0.28858569 | 0.28954576 | 0.28938086 | 0.2892366857 | 0.28879130 |
| 0.12950047 | 0.29394653 | 0.29332833 | 0.29255888 | 0.29377566 | 0.29472646 | 0.29455843 | 0.2944150426 | 0.29394653 |
| 0.13203970 | 0.29917137 | 0.29856151 | 0.29781014 | 0.29903562 | 0.29997699 | 0.29980579 | 0.2996631994 | 0.29917138 |
| 0.13457892 | 0.30446350 | 0.30386213 | 0.30312910 | 0.30436324 | 0.30529501 | 0.30512061 | 0.3049788131 | 0.30446350 |
| 0.13711815 | 0.30982056 | 0.30922783 | 0.30851339 | 0.30975614 | 0.31067816 | 0.31050053 | 0.3103595304 | 0.30982056 |
| 0.13965737 | 0.31524023 | 0.31465625 | 0.31396065 | 0.31521197 | 0.31612409 | 0.31594319 | 0.3158029901 | 0.31524023 |
| 0.14219660 | 0.32072013 | 0.32014505 | 0.31946851 | 0.32072836 | 0.32163043 | 0.32144623 | 0.3213068240 | 0.32072013 |
| 0.14473582 | 0.32625793 | 0.32569186 | 0.32503460 | 0.32630292 | 0.32719481 | 0.32700726 | 0.3268686592 | 0.32625793 |
| 0.14727505 | 0.33185125 | 0.33129431 | 0.33065654 | 0.33193327 | 0.33281484 | 0.33262393 | 0.3324861192 | 0.33185125 |
| 0.14981427 | 0.33749773 | 0.33695003 | 0.33633194 | 0.33761704 | 0.33848816 | 0.33829384 | 0.3381568257 | 0.33749773 |
| 0.15235350 | 0.34319502 | 0.34265665 | 0.34205842 | 0.34335184 | 0.34421239 | 0.34401462 | 0.3438784000 | 0.34319502 |
| 0.15489272 | 0.34894074 | 0.34841181 | 0.34783361 | 0.34913528 | 0.34998515 | 0.34978390 | 0.3496484648 | 0.34894074 |
| 0.15743195 | 0.35473254 | 0.35421313 | 0.35365512 | 0.35496499 | 0.35580406 | 0.35559931 | 0.3554646454 | 0.35473254 |
| 0.15997117 | 0.36056806 | 0.36005825 | 0.35952058 | 0.36083859 | 0.36166676 | 0.36145846 | 0.3613245714 | 0.36056806 |
| 0.16251040 | 0.36644496 | 0.36594483 | 0.36542762 | 0.36675372 | 0.36757088 | 0.36735900 | 0.3672258780 | 0.36644496 |
| 0.16504962 | 0.37236088 | 0.37187051 | 0.37137389 | 0.37270801 | 0.37351407 | 0.37329858 | 0.3731662076 | 0.37236089 |
| 0.16758885 | 0.37831351 | 0.37783294 | 0.37735702 | 0.37869911 | 0.37949398 | 0.37927483 | 0.3791432113 | 0.37831351 |
| 0.17012807 | 0.38430050 | 0.38382980 | 0.38337468 | 0.38472466 | 0.38550826 | 0.38528544 | 0.3851545499 | 0.38430050 |
| 0.17266730 | 0.39031956 | 0.38985878 | 0.38942453 | 0.39078235 | 0.39155460 | 0.39132806 | 0.3911978955 | 0.39031956 |
| 0.17520652 | 0.39636837 | 0.39591755 | 0.39550425 | 0.39686986 | 0.39763068 | 0.39740038 | 0.3972709332 | 0.39636837 |
| 0.17774575 | 0.40244465 | 0.40200383 | 0.40161155 | 0.40298486 | 0.40373420 | 0.40350011 | 0.4033713615 | 0.40244465 |
| 0.18028497 | 0.40854612 | 0.40811534 | 0.40774413 | 0.40912508 | 0.40986287 | 0.40962496 | 0.4094968944 | 0.40854613 |
| 0.18282420 | 0.41467054 | 0.41424982 | 0.41389971 | 0.41528824 | 0.41601442 | 0.41577266 | 0.4156452623 | 0.41467055 |
| 0.18536342 | 0.42081567 | 0.42040502 | 0.42007604 | 0.42147209 | 0.42218661 | 0.42194096 | 0.4218142132 | 0.42081567 |
| 0.18790265 | 0.42697928 | 0.42657872 | 0.42627089 | 0.42767437 | 0.42837720 | 0.42812762 | 0.4280015139 | 0.42697928 |
| 0.19044187 | 0.43315917 | 0.43276871 | 0.43248204 | 0.43389289 | 0.43458397 | 0.43433044 | 0.4342049510 | 0.43315917 |
| 0.19298110 | 0.43935316 | 0.43897281 | 0.43870728 | 0.44012544 | 0.44080475 | 0.44054722 | 0.4404223324 | 0.43935316 |
| 0.19552032 | 0.44555910 | 0.44518885 | 0.44494445 | 0.44636984 | 0.44703735 | 0.44677580 | 0.4466514879 | 0.44555910 |
| 0.19805955 | 0.45177485 | 0.45141469 | 0.45119139 | 0.45262394 | 0.45327963 | 0.45301402 | 0.4528902704 | 0.45177486 |
| 0.20059877 | 0.45799831 | 0.45764821 | 0.45744599 | 0.45888562 | 0.45952947 | 0.45925976 | 0.4591365570 | 0.45799831 |
| 0.20313800 | 0.46422738 | 0.46388733 | 0.46370612 | 0.46515278 | 0.46578477 | 0.46551094 | 0.4653882498 | 0.46422738 |
| 0.20567722 | 0.47046000 | 0.47012998 | 0.46996973 | 0.47142333 | 0.47204346 | 0.47176547 | 0.4716432769 | 0.47046000 |
| 0.20821645 | 0.47669415 | 0.47637412 | 0.47623476 | 0.47769523 | 0.47830349 | 0.47802131 | 0.4778995934 | 0.47669415 |
| 0.21075567 | 0.48292781 | 0.48261773 | 0.48249919 | 0.48396645 | 0.48456285 | 0.48427645 | 0.4841551818 | 0.48292781 |
| 0.21329490 | 0.48915900 | 0.48885885 | 0.48876102 | 0.49023500 | 0.49081955 | 0.49052890 | 0.4904080533 | 0.48915901 |
| 0.21583412 | 0.49538579 | 0.49509550 | 0.49501829 | 0.49649893 | 0.49707164 | 0.49677669 | 0.4966562485 | 0.49538579 |
| 0.21837335 | 0.50160625 | 0.50132576 | 0.50126908 | 0.50275628 | 0.50331717 | 0.50301791 | 0.5028978377 | 0.50160625 |
| 0.22091257 | 0.50781848 | 0.50754775 | 0.50751147 | 0.50900517 | 0.50955426 | 0.50925065 | 0.5091309220 | 0.50781849 |
| 0.22345180 | 0.51402064 | 0.51375960 | 0.51374359 | 0.51524371 | 0.51578104 | 0.51547304 | 0.5153536341 | 0.51402065 |
| 0.22599102 | 0.52021090 | 0.51995948 | 0.51996361 | 0.52147007 | 0.52199566 | 0.52168325 | 0.5215641383 | 0.52021090 |
| 0.22853025 | 0.52638746 | 0.52614560 | 0.52616971 | 0.52768244 | 0.52819633 | 0.52787948 | 0.5277606317 | 0.52638746 |
| 0.23106947 | 0.53254856 | 0.53231617 | 0.53236013 | 0.53387905 | 0.53438129 | 0.53405996 | 0.5339413442 | 0.53254857 |
| 0.23360870 | 0.53869248 | 0.53846948 | 0.53853312 | 0.54005816 | 0.54054878 | 0.54022295 | 0.5401045396 | 0.53869249 |
| 0.23614792 | 0.54481752 | 0.54460383 | 0.54468697 | 0.54621805 | 0.54669712 | 0.54636675 | 0.5462485156 | 0.54481753 |
| 0.23868715 | 0.55092202 | 0.55071754 | 0.55082002 | 0.55235706 | 0.55282462 | 0.55248969 | 0.5523716043 | 0.55092203 |
| 0.24122637 | 0.55700436 | 0.55680900 | 0.55693062 | 0.55847355 | 0.55892967 | 0.55859015 | 0.5584721727 | 0.55700437 |
| 0.24376560 | 0.56306295 | 0.56287661 | 0.56301719 | 0.56456592 | 0.56501066 | 0.56466652 | 0.5645486232 | 0.56306295 |
| 0.24630482 | 0.56909622 | 0.56891880 | 0.56907813 | 0.57063260 | 0.57106603 | 0.57071724 | 0.5705993935 | 0.56909623 |
| 0.24884405 | 0.57510267 | 0.57493406 | 0.57511194 | 0.57667206 | 0.57709425 | 0.57674078 | 0.5766229572 | 0.57510267 |
| 0.25138327 | 0.58108081 | 0.58092090 | 0.58111711 | 0.58268281 | 0.58309383 | 0.58273567 | 0.5826178242 | 0.58108081 |
| 0.25392250 | 0.58702919 | 0.58687787 | 0.58709219 | 0.58866339 | 0.58906333 | 0.58870043 | 0.5885825403 | 0.58702919 |
| 0.25646172 | 0.59294640 | 0.59280354 | 0.59303575 | 0.59461237 | 0.59500132 | 0.59463366 | 0.5945156881 | 0.59294640 |
| 0.25900095 | 0.59883106 | 0.59869656 | 0.59894641 | 0.60052838 | 0.60090641 | 0.60053398 | 0.6004158868 | 0.59883106 |
| 0.26154017 | 0.60468184 | 0.60455556 | 0.60482282 | 0.60641006 | 0.60677728 | 0.60640003 | 0.6062817922 | 0.60468184 |
| 0.26407940 | 0.61049743 | 0.61037925 | 0.61066368 | 0.61225611 | 0.61261260 | 0.61223052 | 0.6121120969 | 0.61049744 |
| 0.26661862 | 0.61627658 | 0.61616636 | 0.61646769 | 0.61806524 | 0.61841111 | 0.61802418 | 0.6179055307 | 0.61627658 |
| 0.26915785 | 0.62201804 | 0.62191566 | 0.62223364 | 0.62383623 | 0.62417158 | 0.62377976 | 0.6236608600 | 0.62201805 |
| 0.27169707 | 0.62772064 | 0.62762594 | 0.62796032 | 0.62956787 | 0.62989280 | 0.62949608 | 0.6293768883 | 0.62772064 |
| 0.27423630 | 0.63338320 | 0.63329606 | 0.63364656 | 0.63525900 | 0.63557363 | 0.63517198 | 0.6350524558 | 0.63338320 |
| 0.27677552 | 0.63900462 | 0.63892489 | 0.63929124 | 0.64090850 | 0.64121293 | 0.64080633 | 0.6406864396 | 0.63900462 |
| 0.27931475 | 0.64458381 | 0.64451135 | 0.64489326 | 0.64651527 | 0.64680961 | 0.64639804 | 0.6462777537 | 0.64458381 |
| 0.28185397 | 0.65011973 | 0.65005439 | 0.65045159 | 0.65207826 | 0.65236264 | 0.65194607 | 0.6518253483 | 0.65011973 |
| 0.28439320 | 0.65561136 | 0.65555299 | 0.65596519 | 0.65759645 | 0.65787099 | 0.65744941 | 0.6573282105 | 0.65561136 |
| 0.28693242 | 0.66105773 | 0.66100618 | 0.66143309 | 0.66306887 | 0.66333369 | 0.66290707 | 0.6627853633 | 0.66105773 |
| 0.28947165 | 0.66645791 | 0.66641302 | 0.66685434 | 0.66849456 | 0.66874979 | 0.66831812 | 0.6681958660 | 0.66645791 |
| 0.29201087 | 0.67181098 | 0.67177260 | 0.67222804 | 0.67387263 | 0.67411840 | 0.67368165 | 0.6735588139 | 0.67181099 |
| 0.29455010 | 0.67711609 | 0.67708406 | 0.67755331 | 0.67920221 | 0.67943863 | 0.67899680 | 0.6788733376 | 0.67711610 |
| 0.29708932 | 0.68237240 | 0.68234657 | 0.68282932 | 0.68448244 | 0.68470967 | 0.68426272 | 0.6841386034 | 0.68237241 |
| 0.29962855 | 0.68757912 | 0.68755931 | 0.68805527 | 0.68971254 | 0.68993070 | 0.68947863 | 0.6893538125 | 0.68757912 |
| 0.30216777 | 0.69273548 | 0.69272153 | 0.69323038 | 0.69489173 | 0.69510097 | 0.69464375 | 0.6945182010 | 0.69273548 |
| 0.30470700 | 0.69784075 | 0.69783250 | 0.69835392 | 0.70001929 | 0.70021974 | 0.69975736 | 0.6996310394 | 0.69784075 |
| 0.30724622 | 0.70289423 | 0.70289153 | 0.70342520 | 0.70509451 | 0.70528632 | 0.70481876 | 0.7046916323 | 0.70289424 |
| 0.30978545 | 0.70789528 | 0.70789794 | 0.70844356 | 0.71011674 | 0.71030004 | 0.70982729 | 0.7096993182 | 0.70789528 |
| 0.31232467 | 0.71284326 | 0.71285112 | 0.71340835 | 0.71508533 | 0.71526028 | 0.71478232 | 0.7146534689 | 0.71284326 |
| 0.31486390 | 0.71773757 | 0.71775046 | 0.71831898 | 0.71999970 | 0.72016645 | 0.71968326 | 0.7195534891 | 0.71773757 |
| 0.31740312 | 0.72257765 | 0.72259540 | 0.72317490 | 0.72485928 | 0.72501796 | 0.72452955 | 0.7243988163 | 0.72257765 |
| 0.31994235 | 0.72736298 | 0.72738541 | 0.72797555 | 0.72966353 | 0.72981431 | 0.72932064 | 0.7291889200 | 0.72736298 |
| 0.32248157 | 0.73209304 | 0.73212000 | 0.73272045 | 0.73441195 | 0.73455498 | 0.73405605 | 0.7339233015 | 0.73209305 |
| 0.32502080 | 0.73676738 | 0.73679868 | 0.73740912 | 0.73910409 | 0.73923951 | 0.73873531 | 0.7386014933 | 0.73676739 |
| 0.32756002 | 0.74138556 | 0.74142103 | 0.74204113 | 0.74373948 | 0.74386746 | 0.74335798 | 0.7432230588 | 0.74138556 |
| 0.33009925 | 0.74594717 | 0.74598663 | 0.74661606 | 0.74831774 | 0.74843843 | 0.74792366 | 0.7477875917 | 0.74594717 |
| 0.33263847 | 0.75045182 | 0.75049511 | 0.75113353 | 0.75283848 | 0.75295203 | 0.75243196 | 0.7522947156 | 0.75045183 |
| 0.33517770 | 0.75489918 | 0.75494612 | 0.75559320 | 0.75730135 | 0.75740793 | 0.75688254 | 0.7567440834 | 0.75489919 |
| 0.33771692 | 0.75928893 | 0.75933933 | 0.75999475 | 0.76170603 | 0.76180579 | 0.76127508 | 0.7611353769 | 0.75928893 |
| 0.34025615 | 0.76362076 | 0.76367447 | 0.76433788 | 0.76605222 | 0.76614533 | 0.76560930 | 0.7654683063 | 0.76362077 |
| 0.34279537 | 0.76789442 | 0.76795125 | 0.76862233 | 0.77033968 | 0.77042629 | 0.76988492 | 0.7697426094 | 0.76789443 |
| 0.34533460 | 0.77210968 | 0.77216945 | 0.77284786 | 0.77456815 | 0.77464843 | 0.77410172 | 0.7739580516 | 0.77210968 |
| 0.34787382 | 0.77626631 | 0.77632886 | 0.77701427 | 0.77873744 | 0.77881154 | 0.77825948 | 0.7781144249 | 0.77626631 |
| 0.35041305 | 0.78036414 | 0.78042929 | 0.78112136 | 0.78284735 | 0.78291545 | 0.78235803 | 0.7822115476 | 0.78036414 |
| 0.35295227 | 0.78440300 | 0.78447058 | 0.78516899 | 0.78689773 | 0.78695998 | 0.78639721 | 0.7862492635 | 0.78440300 |
| 0.35549150 | 0.78838277 | 0.78845260 | 0.78915701 | 0.79088845 | 0.79094502 | 0.79037688 | 0.7902274419 | 0.78838277 |
| 0.35803072 | 0.79230333 | 0.79237524 | 0.79308533 | 0.79481940 | 0.79487044 | 0.79429695 | 0.7941459763 | 0.79230333 |
| 0.36056995 | 0.79616460 | 0.79623842 | 0.79695385 | 0.79869050 | 0.79873618 | 0.79815732 | 0.7980047844 | 0.79616460 |
| 0.36310917 | 0.79996652 | 0.80004207 | 0.80076252 | 0.80250169 | 0.80254217 | 0.80195794 | 0.8018038075 | 0.79996652 |
| 0.36564840 | 0.80370904 | 0.80378615 | 0.80451130 | 0.80625292 | 0.80628838 | 0.80569877 | 0.8055430097 | 0.80370904 |
| 0.36818762 | 0.80739216 | 0.80747066 | 0.80820017 | 0.80994419 | 0.80997478 | 0.80937980 | 0.8092223774 | 0.80739216 |
| 0.37072685 | 0.81101586 | 0.81109559 | 0.81182915 | 0.81357551 | 0.81360139 | 0.81300103 | 0.8128419188 | 0.81101587 |
| 0.37326607 | 0.81458019 | 0.81466098 | 0.81539825 | 0.81714689 | 0.81716823 | 0.81656250 | 0.8164016636 | 0.81458020 |
| 0.37580530 | 0.81808519 | 0.81816686 | 0.81890754 | 0.82065840 | 0.82067536 | 0.82006426 | 0.8199016618 | 0.81808520 |
| 0.37834452 | 0.82153092 | 0.82161331 | 0.82235707 | 0.82411010 | 0.82412284 | 0.82350637 | 0.8233419838 | 0.82153093 |
| 0.38088375 | 0.82491747 | 0.82500041 | 0.82574694 | 0.82750208 | 0.82751076 | 0.82688892 | 0.8267227195 | 0.82491748 |
| 0.38342297 | 0.82824495 | 0.82832827 | 0.82907725 | 0.83083445 | 0.83083924 | 0.83021203 | 0.8300439777 | 0.82824495 |
| 0.38596220 | 0.83151347 | 0.83159702 | 0.83234814 | 0.83410733 | 0.83410839 | 0.83347582 | 0.8333058857 | 0.83151347 |
| 0.38850142 | 0.83472318 | 0.83480679 | 0.83555974 | 0.83732088 | 0.83731836 | 0.83668043 | 0.8365085889 | 0.83472318 |
| 0.39104065 | 0.83787424 | 0.83795775 | 0.83871222 | 0.84047525 | 0.84046931 | 0.83982603 | 0.8396522497 | 0.83787424 |
| 0.39357987 | 0.84096682 | 0.84105007 | 0.84180576 | 0.84357062 | 0.84356143 | 0.84291279 | 0.8427370477 | 0.84096682 |
| 0.39611910 | 0.84400111 | 0.84408395 | 0.84484055 | 0.84660719 | 0.84659490 | 0.84594092 | 0.8457631784 | 0.84400111 |
| 0.39865832 | 0.84697732 | 0.84705959 | 0.84781680 | 0.84958517 | 0.84956993 | 0.84891062 | 0.8487308534 | 0.84697732 |
| 0.40119755 | 0.84989567 | 0.84997721 | 0.85073474 | 0.85250479 | 0.85248676 | 0.85182211 | 0.8516402992 | 0.84989567 |
| 0.40373677 | 0.85275640 | 0.85283706 | 0.85359461 | 0.85536628 | 0.85534562 | 0.85467565 | 0.8544917572 | 0.85275640 |
| 0.40627600 | 0.85555976 | 0.85563939 | 0.85639667 | 0.85816991 | 0.85814677 | 0.85747147 | 0.8572854829 | 0.85555976 |
| 0.40881522 | 0.85830601 | 0.85838446 | 0.85914118 | 0.86091594 | 0.86089047 | 0.86020986 | 0.8600217453 | 0.85830602 |
| 0.41135445 | 0.86099543 | 0.86107255 | 0.86182843 | 0.86360465 | 0.86357700 | 0.86289110 | 0.8627008268 | 0.86099544 |
| 0.41389367 | 0.86362832 | 0.86370396 | 0.86445871 | 0.86623634 | 0.86620667 | 0.86551547 | 0.8653230223 | 0.86362832 |
| 0.41643290 | 0.86620496 | 0.86627898 | 0.86703233 | 0.86881132 | 0.86877977 | 0.86808329 | 0.8678886388 | 0.86620497 |
| 0.41897212 | 0.86872569 | 0.86879794 | 0.86954961 | 0.87132991 | 0.87129662 | 0.87059488 | 0.8703979950 | 0.86872569 |
| 0.42151135 | 0.87119081 | 0.87126116 | 0.87201088 | 0.87379243 | 0.87375756 | 0.87305055 | 0.8728514208 | 0.87119082 |
| 0.42405057 | 0.87360068 | 0.87366897 | 0.87441647 | 0.87619924 | 0.87616292 | 0.87545066 | 0.8752492568 | 0.87360068 |
| 0.42658980 | 0.87595562 | 0.87602173 | 0.87676674 | 0.87855067 | 0.87851305 | 0.87779556 | 0.8775918537 | 0.87595563 |
| 0.42912902 | 0.87825600 | 0.87831980 | 0.87906206 | 0.88084709 | 0.88080831 | 0.88008559 | 0.8798795722 | 0.87825601 |
| 0.43166825 | 0.88050219 | 0.88056353 | 0.88130279 | 0.88308887 | 0.88304907 | 0.88232114 | 0.8821127820 | 0.88050220 |
| 0.43420747 | 0.88269456 | 0.88275331 | 0.88348930 | 0.88527640 | 0.88523570 | 0.88450258 | 0.8842918619 | 0.88269456 |
| 0.43674670 | 0.88483348 | 0.88488952 | 0.88562200 | 0.88741005 | 0.88736861 | 0.88663030 | 0.8864171992 | 0.88483348 |
| 0.43928592 | 0.88691935 | 0.88697256 | 0.88770127 | 0.88949022 | 0.88944817 | 0.88870468 | 0.8884891888 | 0.88691935 |
| 0.44182515 | 0.88895257 | 0.88900281 | 0.88972752 | 0.89151733 | 0.89147479 | 0.89072615 | 0.8905082337 | 0.88895257 |
| 0.44436437 | 0.89093354 | 0.89098069 | 0.89170115 | 0.89349177 | 0.89344887 | 0.89269510 | 0.8924747436 | 0.89093354 |
| 0.44690360 | 0.89286267 | 0.89290661 | 0.89362260 | 0.89541397 | 0.89537085 | 0.89461194 | 0.8943891353 | 0.89286268 |
| 0.44944282 | 0.89474039 | 0.89478100 | 0.89549227 | 0.89728435 | 0.89724113 | 0.89647711 | 0.8962518317 | 0.89474039 |
| 0.45198205 | 0.89656710 | 0.89660428 | 0.89731060 | 0.89910333 | 0.89906014 | 0.89829103 | 0.8980632620 | 0.89656711 |
| 0.45452127 | 0.89834326 | 0.89837687 | 0.89907803 | 0.90087137 | 0.90082832 | 0.90005414 | 0.8998238605 | 0.89834326 |
| 0.45706050 | 0.90006928 | 0.90009922 | 0.90079499 | 0.90258889 | 0.90254611 | 0.90176686 | 0.9015340673 | 0.90006929 |
| 0.45959972 | 0.90174561 | 0.90177178 | 0.90246194 | 0.90425635 | 0.90421395 | 0.90342966 | 0.9031943268 | 0.90174562 |
| 0.46213895 | 0.90337270 | 0.90339497 | 0.90407932 | 0.90587419 | 0.90583229 | 0.90504298 | 0.9048050884 | 0.90337270 |
| 0.46467817 | 0.90495099 | 0.90496927 | 0.90564759 | 0.90744286 | 0.90740158 | 0.90660726 | 0.9063668052 | 0.90495099 |
| 0.46721740 | 0.90648093 | 0.90649511 | 0.90716720 | 0.90896283 | 0.90892228 | 0.90812297 | 0.9078799345 | 0.90648093 |
| 0.46975662 | 0.90796297 | 0.90797296 | 0.90863862 | 0.91043456 | 0.91039485 | 0.90959056 | 0.9093449369 | 0.90796298 |
| 0.47229585 | 0.90939759 | 0.90940329 | 0.91006231 | 0.91185852 | 0.91181974 | 0.91101051 | 0.9107622762 | 0.90939760 |
| 0.47483507 | 0.91078524 | 0.91078654 | 0.91143875 | 0.91323516 | 0.91319743 | 0.91238327 | 0.9121324191 | 0.91078524 |
| 0.47737430 | 0.91212638 | 0.91212320 | 0.91276839 | 0.91456497 | 0.91452839 | 0.91370932 | 0.9134558347 | 0.91212639 |
| 0.47991352 | 0.91342149 | 0.91341373 | 0.91405173 | 0.91584841 | 0.91581308 | 0.91498912 | 0.9147329945 | 0.91342149 |
| 0.48245275 | 0.91467102 | 0.91465859 | 0.91528922 | 0.91708596 | 0.91705198 | 0.91622315 | 0.9159643719 | 0.91467102 |
| 0.48499197 | 0.91587545 | 0.91585827 | 0.91648135 | 0.91827810 | 0.91824556 | 0.91741188 | 0.9171504421 | 0.91587546 |
| 0.48753120 | 0.91703526 | 0.91701324 | 0.91762859 | 0.91942531 | 0.91939430 | 0.91855579 | 0.9182916816 | 0.91703526 |
| 0.49007042 | 0.91815090 | 0.91812397 | 0.91873143 | 0.92052805 | 0.92049868 | 0.91965536 | 0.9193885681 | 0.91815091 |
| 0.49260965 | 0.91922287 | 0.91919094 | 0.91979034 | 0.92158682 | 0.92155916 | 0.92071106 | 0.9204415802 | 0.91922288 |
| 0.49514887 | 0.92025164 | 0.92021463 | 0.92080581 | 0.92260210 | 0.92257624 | 0.92172337 | 0.9214511971 | 0.92025164 |
| 0.49768810 | 0.92123767 | 0.92119551 | 0.92177832 | 0.92357436 | 0.92355039 | 0.92269277 | 0.9224178985 | 0.92123767 |
| 0.50022732 | 0.92218144 | 0.92213406 | 0.92270835 | 0.92450409 | 0.92448208 | 0.92361975 | 0.9233421642 | 0.92218145 |
| 0.50276655 | 0.92308343 | 0.92303075 | 0.92359637 | 0.92539177 | 0.92537181 | 0.92450477 | 0.9242244741 | 0.92308344 |
| 0.50530577 | 0.92394412 | 0.92388608 | 0.92444288 | 0.92623788 | 0.92622004 | 0.92534833 | 0.9250653076 | 0.92394413 |
| 0.50784500 | 0.92476398 | 0.92470051 | 0.92524836 | 0.92704290 | 0.92702725 | 0.92615089 | 0.9258651439 | 0.92476399 |
| 0.51038422 | 0.92554348 | 0.92547452 | 0.92601327 | 0.92780732 | 0.92779393 | 0.92691294 | 0.9266244613 | 0.92554349 |
| 0.51292345 | 0.92628310 | 0.92620858 | 0.92673812 | 0.92853160 | 0.92852055 | 0.92763495 | 0.9273437375 | 0.92628311 |
| 0.51546267 | 0.92698331 | 0.92690317 | 0.92742336 | 0.92921623 | 0.92920758 | 0.92831740 | 0.9280234489 | 0.92698331 |
| 0.51800190 | 0.92764457 | 0.92755877 | 0.92806948 | 0.92986169 | 0.92985550 | 0.92896077 | 0.9286640708 | 0.92764458 |
| 0.52054112 | 0.92826737 | 0.92817584 | 0.92867696 | 0.93046846 | 0.93046478 | 0.92956552 | 0.9292660771 | 0.92826738 |
| 0.52308035 | 0.92885217 | 0.92875486 | 0.92924627 | 0.93103699 | 0.93103590 | 0.93013213 | 0.9298299401 | 0.92885217 |
| 0.52561957 | 0.92939943 | 0.92929629 | 0.92977788 | 0.93156778 | 0.93156933 | 0.93066107 | 0.9303561304 | 0.92939943 |
| 0.52815880 | 0.92990962 | 0.92980061 | 0.93027227 | 0.93206129 | 0.93206553 | 0.93115281 | 0.9308451167 | 0.92990962 |
| 0.53069802 | 0.93038320 | 0.93026827 | 0.93072990 | 0.93251798 | 0.93252496 | 0.93160781 | 0.9312973656 | 0.93038320 |
| 0.53323725 | 0.93082063 | 0.93069974 | 0.93115124 | 0.93293833 | 0.93294810 | 0.93202653 | 0.9317133418 | 0.93082064 |
| 0.53577647 | 0.93122238 | 0.93109549 | 0.93153675 | 0.93332280 | 0.93333540 | 0.93240945 | 0.9320935074 | 0.93122239 |
| 0.53831570 | 0.93158889 | 0.93145596 | 0.93188690 | 0.93367185 | 0.93368733 | 0.93275701 | 0.9324383223 | 0.93158890 |
| 0.54085492 | 0.93192063 | 0.93178161 | 0.93220215 | 0.93398593 | 0.93400434 | 0.93306968 | 0.9327482437 | 0.93192064 |
| 0.54339415 | 0.93221804 | 0.93207291 | 0.93248295 | 0.93426552 | 0.93428688 | 0.93334791 | 0.9330237262 | 0.93221804 |
| 0.54593337 | 0.93248157 | 0.93233029 | 0.93272975 | 0.93451105 | 0.93453540 | 0.93359215 | 0.9332652216 | 0.93248157 |
| 0.54847260 | 0.93271166 | 0.93255421 | 0.93294302 | 0.93472299 | 0.93475036 | 0.93380285 | 0.9334731789 | 0.93271167 |
| 0.55101182 | 0.93290876 | 0.93274511 | 0.93312319 | 0.93490177 | 0.93493220 | 0.93398046 | 0.9336480441 | 0.93290877 |
| 0.55355105 | 0.93307332 | 0.93290343 | 0.93327071 | 0.93504785 | 0.93508136 | 0.93412541 | 0.9337902601 | 0.93307332 |
| 0.55609027 | 0.93320575 | 0.93302961 | 0.93338603 | 0.93516166 | 0.93519828 | 0.93423814 | 0.9339002666 | 0.93320576 |
| 0.55862950 | 0.93330650 | 0.93312409 | 0.93346958 | 0.93524364 | 0.93528340 | 0.93431911 | 0.9339785002 | 0.93330651 |
| 0.56116872 | 0.93337601 | 0.93318729 | 0.93352180 | 0.93529424 | 0.93533715 | 0.93436872 | 0.9340253940 | 0.93337601 |
| 0.56370795 | 0.93341468 | 0.93321965 | 0.93354312 | 0.93531387 | 0.93535996 | 0.93438742 | 0.9340413779 | 0.93341469 |
| 0.56624717 | 0.93342295 | 0.93322160 | 0.93353396 | 0.93530298 | 0.93535225 | 0.93437563 | 0.9340268782 | 0.93342296 |
| 0.56878640 | 0.93340125 | 0.93319354 | 0.93349477 | 0.93526198 | 0.93531445 | 0.93433378 | 0.9339823177 | 0.93340125 |
| 0.57132562 | 0.93334997 | 0.93313591 | 0.93342595 | 0.93519129 | 0.93524697 | 0.93426227 | 0.9339081156 | 0.93334997 |
| 0.57386485 | 0.93326954 | 0.93304912 | 0.93332792 | 0.93509134 | 0.93515024 | 0.93416153 | 0.9338046877 | 0.93326954 |
| 0.57640407 | 0.93316037 | 0.93293357 | 0.93320110 | 0.93496254 | 0.93502466 | 0.93403197 | 0.9336724457 | 0.93316037 |
| 0.57894330 | 0.93302285 | 0.93278968 | 0.93304590 | 0.93480529 | 0.93487063 | 0.93387400 | 0.9335117979 | 0.93302286 |
| 0.58148252 | 0.93285740 | 0.93261785 | 0.93286273 | 0.93462000 | 0.93468858 | 0.93368802 | 0.9333231486 | 0.93285741 |
| 0.58402175 | 0.93266441 | 0.93241847 | 0.93265199 | 0.93440708 | 0.93447888 | 0.93347443 | 0.9331068984 | 0.93266442 |
| 0.58656097 | 0.93244428 | 0.93219195 | 0.93241407 | 0.93416692 | 0.93424195 | 0.93323362 | 0.9328634441 | 0.93244428 |
| 0.58910020 | 0.93219738 | 0.93193867 | 0.93214938 | 0.93389993 | 0.93397817 | 0.93296600 | 0.9325931784 | 0.93219739 |
| 0.59163942 | 0.93192412 | 0.93165903 | 0.93185830 | 0.93360648 | 0.93368794 | 0.93267194 | 0.9322964903 | 0.93192413 |
| 0.59417865 | 0.93162487 | 0.93135341 | 0.93154123 | 0.93328697 | 0.93337163 | 0.93235183 | 0.9319737647 | 0.93162488 |
| 0.59671787 | 0.93130002 | 0.93102218 | 0.93119854 | 0.93294178 | 0.93302962 | 0.93200606 | 0.9316253827 | 0.93130002 |
| 0.59925710 | 0.93094993 | 0.93066573 | 0.93083061 | 0.93257129 | 0.93266230 | 0.93163500 | 0.9312517212 | 0.93094993 |
| 0.60179632 | 0.93057498 | 0.93028443 | 0.93043782 | 0.93217587 | 0.93227004 | 0.93123902 | 0.9308531534 | 0.93057498 |
| 0.60433555 | 0.93017553 | 0.92987864 | 0.93002055 | 0.93175590 | 0.93185320 | 0.93081849 | 0.9304300482 | 0.93017553 |
| 0.60687477 | 0.92975195 | 0.92944873 | 0.92957915 | 0.93131174 | 0.93141215 | 0.93037378 | 0.9299827707 | 0.92975195 |
| 0.60941400 | 0.92930459 | 0.92899506 | 0.92911399 | 0.93084375 | 0.93094725 | 0.92990524 | 0.9295116818 | 0.92930459 |
| 0.61195322 | 0.92883381 | 0.92851799 | 0.92862543 | 0.93035229 | 0.93045886 | 0.92941323 | 0.9290171385 | 0.92883382 |
| 0.61449245 | 0.92833997 | 0.92801787 | 0.92811383 | 0.92983773 | 0.92994733 | 0.92889811 | 0.9284994937 | 0.92833997 |
| 0.61703167 | 0.92782340 | 0.92749505 | 0.92757954 | 0.92930040 | 0.92941301 | 0.92836023 | 0.9279590964 | 0.92782340 |
| 0.61957090 | 0.92728445 | 0.92694987 | 0.92702290 | 0.92874066 | 0.92885624 | 0.92779992 | 0.9273962913 | 0.92728446 |
| 0.62211012 | 0.92672346 | 0.92638267 | 0.92644426 | 0.92815884 | 0.92827737 | 0.92721754 | 0.9268114193 | 0.92672347 |
| 0.62464935 | 0.92614077 | 0.92579379 | 0.92584395 | 0.92755529 | 0.92767672 | 0.92661341 | 0.9262048173 | 0.92614077 |
| 0.62718857 | 0.92553670 | 0.92518356 | 0.92522232 | 0.92693034 | 0.92705464 | 0.92598786 | 0.9255768181 | 0.92553670 |
| 0.62972780 | 0.92491158 | 0.92455231 | 0.92457968 | 0.92628433 | 0.92641145 | 0.92534124 | 0.9249277505 | 0.92491159 |
| 0.63226702 | 0.92426574 | 0.92390037 | 0.92391638 | 0.92561757 | 0.92574747 | 0.92467385 | 0.9242579394 | 0.92426575 |
| 0.63480625 | 0.92359950 | 0.92322805 | 0.92323272 | 0.92493039 | 0.92506303 | 0.92398603 | 0.9235677057 | 0.92359950 |
| 0.63734547 | 0.92291316 | 0.92253567 | 0.92252904 | 0.92422311 | 0.92435845 | 0.92327809 | 0.9228573665 | 0.92291316 |
| 0.63988470 | 0.92220704 | 0.92182354 | 0.92180564 | 0.92349605 | 0.92363403 | 0.92255034 | 0.9221272346 | 0.92220705 |
| 0.64242392 | 0.92148145 | 0.92109197 | 0.92106284 | 0.92274951 | 0.92289009 | 0.92180309 | 0.9213776193 | 0.92148146 |
| 0.64496315 | 0.92073670 | 0.92034128 | 0.92030094 | 0.92198380 | 0.92212692 | 0.92103664 | 0.9206088257 | 0.92073670 |
| 0.64750237 | 0.91997307 | 0.91957175 | 0.91952024 | 0.92119923 | 0.92134484 | 0.92025130 | 0.9198211554 | 0.91997308 |
| 0.65004160 | 0.91919088 | 0.91878369 | 0.91872106 | 0.92039609 | 0.92054414 | 0.91944736 | 0.9190149059 | 0.91919088 |
| 0.65258082 | 0.91839040 | 0.91797739 | 0.91790367 | 0.91957468 | 0.91972511 | 0.91862512 | 0.9181903709 | 0.91839041 |
| 0.65512005 | 0.91757193 | 0.91715313 | 0.91706838 | 0.91873528 | 0.91888804 | 0.91778487 | 0.9173478405 | 0.91757194 |
| 0.65765927 | 0.91673576 | 0.91631121 | 0.91621547 | 0.91787820 | 0.91803323 | 0.91692690 | 0.9164876008 | 0.91673576 |
| 0.66019850 | 0.91588216 | 0.91545191 | 0.91534523 | 0.91700371 | 0.91716094 | 0.91605147 | 0.9156099344 | 0.91588216 |
| 0.66273772 | 0.91501141 | 0.91457550 | 0.91445793 | 0.91611209 | 0.91627146 | 0.91515888 | 0.9147151202 | 0.91501142 |
| 0.66527695 | 0.91412379 | 0.91368227 | 0.91355386 | 0.91520362 | 0.91536507 | 0.91424940 | 0.9138034332 | 0.91412379 |
| 0.66781617 | 0.91321956 | 0.91277247 | 0.91263328 | 0.91427857 | 0.91444203 | 0.91332330 | 0.9128751452 | 0.91321957 |
| 0.67035540 | 0.91229900 | 0.91184639 | 0.91169647 | 0.91333722 | 0.91350262 | 0.91238085 | 0.9119305240 | 0.91229900 |
| 0.67289462 | 0.91136236 | 0.91090428 | 0.91074369 | 0.91237982 | 0.91254709 | 0.91142231 | 0.9109698340 | 0.91136237 |
| 0.67543385 | 0.91040991 | 0.90994640 | 0.90977520 | 0.91140664 | 0.91157572 | 0.91044795 | 0.9099933363 | 0.91040991 |
| 0.67797307 | 0.90944190 | 0.90897301 | 0.90879126 | 0.91041793 | 0.91058875 | 0.90945801 | 0.9090012882 | 0.90944190 |
| 0.68051230 | 0.90845858 | 0.90798437 | 0.90779214 | 0.90941396 | 0.90958644 | 0.90845276 | 0.9079939437 | 0.90845859 |
| 0.68305152 | 0.90746021 | 0.90698073 | 0.90677807 | 0.90839498 | 0.90856905 | 0.90743244 | 0.9069715534 | 0.90746021 |
| 0.68559075 | 0.90644703 | 0.90596233 | 0.90574931 | 0.90736123 | 0.90753681 | 0.90639731 | 0.9059343645 | 0.90644703 |
| 0.68812997 | 0.90541928 | 0.90492941 | 0.90470611 | 0.90631295 | 0.90648997 | 0.90534760 | 0.9048826209 | 0.90541928 |
| 0.69066920 | 0.90437720 | 0.90388222 | 0.90364870 | 0.90525040 | 0.90542877 | 0.90428355 | 0.9038165632 | 0.90437720 |
| 0.69320842 | 0.90332103 | 0.90282099 | 0.90257732 | 0.90417381 | 0.90435346 | 0.90320541 | 0.9027364287 | 0.90332103 |
| 0.69574765 | 0.90225100 | 0.90174596 | 0.90149222 | 0.90308340 | 0.90326426 | 0.90211341 | 0.9016424516 | 0.90225101 |
| 0.69828687 | 0.90116735 | 0.90065736 | 0.90039362 | 0.90197943 | 0.90216140 | 0.90100777 | 0.9005348629 | 0.90116735 |
| 0.70082610 | 0.90007029 | 0.89955542 | 0.89928174 | 0.90086211 | 0.90104512 | 0.89988873 | 0.8994138904 | 0.90007029 |
| 0.70336532 | 0.89896006 | 0.89844035 | 0.89815682 | 0.89973167 | 0.89991563 | 0.89875651 | 0.8982797589 | 0.89896006 |
| 0.70590455 | 0.89783686 | 0.89731239 | 0.89701909 | 0.89858833 | 0.89877316 | 0.89761133 | 0.8971326900 | 0.89783687 |
| 0.70844377 | 0.89670093 | 0.89617175 | 0.89586875 | 0.89743231 | 0.89761793 | 0.89645341 | 0.8959729026 | 0.89670094 |
| 0.71098300 | 0.89555248 | 0.89501864 | 0.89470602 | 0.89626384 | 0.89645015 | 0.89528297 | 0.8948006122 | 0.89555248 |
| 0.71352222 | 0.89439171 | 0.89385328 | 0.89353113 | 0.89508312 | 0.89527004 | 0.89410021 | 0.8936160318 | 0.89439171 |
| 0.71606145 | 0.89321884 | 0.89267588 | 0.89234427 | 0.89389036 | 0.89407781 | 0.89290535 | 0.8924193713 | 0.89321884 |
| 0.71860067 | 0.89203407 | 0.89148664 | 0.89114566 | 0.89268577 | 0.89287365 | 0.89169860 | 0.8912108378 | 0.89203407 |
| 0.72113990 | 0.89083760 | 0.89028577 | 0.88993550 | 0.89146956 | 0.89165779 | 0.89048016 | 0.8899906355 | 0.89083761 |
| 0.72367912 | 0.88962965 | 0.88907347 | 0.88871400 | 0.89024192 | 0.89043041 | 0.88925023 | 0.8887589661 | 0.88962965 |
| 0.72621835 | 0.88841040 | 0.88784994 | 0.88748135 | 0.88900307 | 0.88919173 | 0.88800901 | 0.8875160283 | 0.88841040 |
| 0.72875757 | 0.88718005 | 0.88661538 | 0.88623775 | 0.88775319 | 0.88794192 | 0.88675669 | 0.8862620184 | 0.88718005 |
| 0.73129680 | 0.88593879 | 0.88536997 | 0.88498340 | 0.88649248 | 0.88668120 | 0.88549348 | 0.8849971297 | 0.88593879 |
| 0.73383602 | 0.88468681 | 0.88411390 | 0.88371848 | 0.88522114 | 0.88540974 | 0.88421955 | 0.8837215534 | 0.88468682 |
| 0.73637525 | 0.88342431 | 0.88284738 | 0.88244319 | 0.88393934 | 0.88412774 | 0.88293510 | 0.8824354777 | 0.88342431 |
| 0.73891447 | 0.88215146 | 0.88157057 | 0.88115771 | 0.88264728 | 0.88283538 | 0.88164032 | 0.8811390885 | 0.88215147 |
| 0.74145370 | 0.88086845 | 0.88028367 | 0.87986223 | 0.88134514 | 0.88153284 | 0.88033538 | 0.8798325693 | 0.88086846 |
| 0.74399292 | 0.87957546 | 0.87898686 | 0.87855692 | 0.88003310 | 0.88022032 | 0.87902047 | 0.8785161010 | 0.87957547 |
| 0.74653215 | 0.87827267 | 0.87768031 | 0.87724197 | 0.87871134 | 0.87889798 | 0.87769577 | 0.8771898622 | 0.87827267 |
| 0.74907137 | 0.87696024 | 0.87636419 | 0.87591755 | 0.87738004 | 0.87756600 | 0.87636146 | 0.8758540291 | 0.87696025 |
| 0.75161060 | 0.87563837 | 0.87503869 | 0.87458383 | 0.87603937 | 0.87622456 | 0.87501769 | 0.8745087756 | 0.87563837 |
| 0.75414982 | 0.87430721 | 0.87370397 | 0.87324099 | 0.87468951 | 0.87487382 | 0.87366466 | 0.8731542735 | 0.87430721 |
| 0.75668905 | 0.87296693 | 0.87236021 | 0.87188920 | 0.87333062 | 0.87351397 | 0.87230253 | 0.8717906921 | 0.87296694 |
| 0.75922827 | 0.87161771 | 0.87100757 | 0.87052863 | 0.87196287 | 0.87214515 | 0.87093146 | 0.8704181987 | 0.87161771 |
| 0.76176750 | 0.87025970 | 0.86964620 | 0.86915943 | 0.87058642 | 0.87076755 | 0.86955162 | 0.8690369584 | 0.87025970 |
| 0.76430672 | 0.86889307 | 0.86827629 | 0.86778178 | 0.86920145 | 0.86938132 | 0.86816318 | 0.8676471341 | 0.86889307 |
| 0.76684595 | 0.86751798 | 0.86689798 | 0.86639583 | 0.86780811 | 0.86798662 | 0.86676628 | 0.8662488867 | 0.86751798 |
| 0.76938517 | 0.86613458 | 0.86551144 | 0.86500174 | 0.86640656 | 0.86658362 | 0.86536111 | 0.8648423751 | 0.86613459 |
| 0.77192440 | 0.86474304 | 0.86411682 | 0.86359967 | 0.86499696 | 0.86517246 | 0.86394780 | 0.8634277560 | 0.86474305 |
| 0.77446362 | 0.86334351 | 0.86271428 | 0.86218978 | 0.86357946 | 0.86375331 | 0.86252651 | 0.8620051844 | 0.86334351 |
| 0.77700285 | 0.86193613 | 0.86130396 | 0.86077221 | 0.86215421 | 0.86232631 | 0.86109741 | 0.8605748132 | 0.86193613 |
| 0.77954207 | 0.86052107 | 0.85988602 | 0.85934711 | 0.86072137 | 0.86089163 | 0.85966063 | 0.8591367934 | 0.86052107 |
| 0.78208130 | 0.85909846 | 0.85846061 | 0.85791465 | 0.85928109 | 0.85944940 | 0.85821633 | 0.8576912742 | 0.85909846 |
| 0.78462052 | 0.85766846 | 0.85702788 | 0.85647495 | 0.85783351 | 0.85799977 | 0.85676465 | 0.8562384030 | 0.85766846 |
| 0.78715975 | 0.85623120 | 0.85558796 | 0.85502818 | 0.85637878 | 0.85654290 | 0.85530575 | 0.8547783252 | 0.85623121 |
| 0.78969897 | 0.85478684 | 0.85414101 | 0.85357447 | 0.85491704 | 0.85507892 | 0.85383976 | 0.8533111846 | 0.85478685 |
| 0.79223820 | 0.85333552 | 0.85268716 | 0.85211395 | 0.85344844 | 0.85360797 | 0.85236682 | 0.8518371234 | 0.85333552 |
| 0.79477742 | 0.85187737 | 0.85122655 | 0.85064679 | 0.85197311 | 0.85213021 | 0.85088708 | 0.8503562819 | 0.85187737 |
| 0.79731665 | 0.85041253 | 0.84975933 | 0.84917310 | 0.85049119 | 0.85064576 | 0.84940068 | 0.8488687987 | 0.85041253 |
| 0.79985587 | 0.84894114 | 0.84828562 | 0.84769303 | 0.84900282 | 0.84915476 | 0.84790775 | 0.8473748110 | 0.84894114 |
| 0.80239510 | 0.84746334 | 0.84680556 | 0.84620671 | 0.84750814 | 0.84765735 | 0.84640843 | 0.8458744541 | 0.84746334 |
| 0.80493432 | 0.84597925 | 0.84531930 | 0.84471428 | 0.84600728 | 0.84615366 | 0.84490285 | 0.8443678621 | 0.84597925 |
| 0.80747355 | 0.84448901 | 0.84382694 | 0.84321586 | 0.84450038 | 0.84464383 | 0.84339114 | 0.8428551671 | 0.84448901 |
| 0.81001277 | 0.84299275 | 0.84232864 | 0.84171160 | 0.84298755 | 0.84312798 | 0.84187344 | 0.8413365000 | 0.84299275 |
| 0.81255200 | 0.84149059 | 0.84082451 | 0.84020161 | 0.84146893 | 0.84160625 | 0.84034988 | 0.8398119903 | 0.84149060 |
| 0.81509122 | 0.83998267 | 0.83931469 | 0.83868602 | 0.83994466 | 0.84007876 | 0.83882057 | 0.8382817657 | 0.83998268 |
| 0.81763045 | 0.83846912 | 0.83779930 | 0.83716496 | 0.83841485 | 0.83854563 | 0.83728566 | 0.8367459528 | 0.83846912 |
| 0.82016967 | 0.83695005 | 0.83627846 | 0.83563855 | 0.83687963 | 0.83700701 | 0.83574526 | 0.8352046765 | 0.83695005 |
| 0.82270890 | 0.83542558 | 0.83475229 | 0.83410692 | 0.83533912 | 0.83546300 | 0.83419950 | 0.8336580607 | 0.83542559 |
| 0.82524812 | 0.83389585 | 0.83322093 | 0.83257018 | 0.83379345 | 0.83391373 | 0.83264850 | 0.8321062275 | 0.83389585 |
| 0.82778735 | 0.83236097 | 0.83168448 | 0.83102847 | 0.83224273 | 0.83235933 | 0.83109237 | 0.8305492982 | 0.83236097 |
| 0.83032657 | 0.83082105 | 0.83014307 | 0.82948188 | 0.83068709 | 0.83079990 | 0.82953125 | 0.8289873922 | 0.83082106 |
| 0.83286580 | 0.82927623 | 0.82859681 | 0.82793055 | 0.82912664 | 0.82923558 | 0.82796525 | 0.8274206282 | 0.82927623 |
| 0.83540502 | 0.82772661 | 0.82704583 | 0.82637460 | 0.82756151 | 0.82766647 | 0.82639449 | 0.8258491233 | 0.82772661 |
| 0.83794425 | 0.82617231 | 0.82549023 | 0.82481412 | 0.82599179 | 0.82609270 | 0.82481908 | 0.8242729935 | 0.82617231 |
| 0.84048347 | 0.82461344 | 0.82393013 | 0.82324924 | 0.82441762 | 0.82451438 | 0.82323914 | 0.8226923535 | 0.82461344 |
| 0.84302270 | 0.82305012 | 0.82236565 | 0.82168008 | 0.82283911 | 0.82293162 | 0.82165477 | 0.8211073170 | 0.82305012 |
| 0.84556192 | 0.82148245 | 0.82079689 | 0.82010673 | 0.82125635 | 0.82134453 | 0.82006611 | 0.8195179964 | 0.82148246 |
| 0.84810115 | 0.81991056 | 0.81922396 | 0.81852932 | 0.81966947 | 0.81975323 | 0.81847324 | 0.8179245030 | 0.81991057 |
| 0.85064037 | 0.81833455 | 0.81764698 | 0.81694795 | 0.81807858 | 0.81815782 | 0.81687630 | 0.8163269469 | 0.81833455 |
| 0.85317960 | 0.81675452 | 0.81606605 | 0.81536272 | 0.81648378 | 0.81655842 | 0.81527537 | 0.8147254373 | 0.81675453 |
| 0.85571882 | 0.81517059 | 0.81448128 | 0.81377375 | 0.81488519 | 0.81495513 | 0.81367058 | 0.8131200822 | 0.81517059 |
| 0.85825805 | 0.81358286 | 0.81289278 | 0.81218114 | 0.81328290 | 0.81334807 | 0.81206203 | 0.8115109886 | 0.81358286 |
| 0.86079727 | 0.81199144 | 0.81130065 | 0.81058500 | 0.81167702 | 0.81173733 | 0.81044983 | 0.8098982623 | 0.81199144 |
| 0.86333650 | 0.81039643 | 0.80970499 | 0.80898543 | 0.81006766 | 0.81012302 | 0.80883408 | 0.8082820083 | 0.81039643 |
| 0.86587572 | 0.80879793 | 0.80810591 | 0.80738253 | 0.80845492 | 0.80850525 | 0.80721488 | 0.8066623305 | 0.80879793 |
| 0.86841495 | 0.80719605 | 0.80650350 | 0.80577640 | 0.80683891 | 0.80688412 | 0.80559234 | 0.8050393318 | 0.80719605 |
| 0.87095417 | 0.80559088 | 0.80489788 | 0.80416714 | 0.80521972 | 0.80525972 | 0.80396655 | 0.8034131142 | 0.80559089 |
| 0.87349340 | 0.80398254 | 0.80328914 | 0.80255486 | 0.80359745 | 0.80363217 | 0.80233763 | 0.8017837787 | 0.80398254 |
| 0.87603262 | 0.80237111 | 0.80167738 | 0.80093965 | 0.80197221 | 0.80200156 | 0.80070568 | 0.8001514254 | 0.80237111 |
| 0.87857185 | 0.80075670 | 0.80006270 | 0.79932161 | 0.80034409 | 0.80036799 | 0.79907078 | 0.7985161534 | 0.80075670 |
| 0.88111107 | 0.79913940 | 0.79844519 | 0.79770084 | 0.79871319 | 0.79873156 | 0.79743304 | 0.7968780610 | 0.79913941 |
| 0.88365030 | 0.79751932 | 0.79682495 | 0.79607743 | 0.79707960 | 0.79709237 | 0.79579255 | 0.7952372456 | 0.79751932 |
| 0.88618952 | 0.79589654 | 0.79520208 | 0.79445147 | 0.79544343 | 0.79545052 | 0.79414942 | 0.7935938037 | 0.79589654 |
| 0.88872875 | 0.79427116 | 0.79357667 | 0.79282307 | 0.79380477 | 0.79380609 | 0.79250374 | 0.7919478309 | 0.79427117 |
| 0.89126797 | 0.79264328 | 0.79194882 | 0.79119231 | 0.79216370 | 0.79215918 | 0.79085560 | 0.7902994221 | 0.79264329 |
| 0.89380720 | 0.79101299 | 0.79031861 | 0.78955929 | 0.79052033 | 0.79050990 | 0.78920510 | 0.7886486711 | 0.79101300 |
| 0.89634642 | 0.78938039 | 0.78868615 | 0.78792410 | 0.78887475 | 0.78885832 | 0.78755233 | 0.7869956712 | 0.78938039 |
| 0.89888565 | 0.78774555 | 0.78705152 | 0.78628682 | 0.78722704 | 0.78720455 | 0.78589738 | 0.7853405147 | 0.78774555 |
| 0.90142487 | 0.78610858 | 0.78541480 | 0.78464756 | 0.78557731 | 0.78554867 | 0.78424035 | 0.7836832931 | 0.78610858 |
| 0.90396410 | 0.78446957 | 0.78377610 | 0.78300639 | 0.78392563 | 0.78389079 | 0.78258132 | 0.7820240972 | 0.78446957 |
| 0.90650332 | 0.78282860 | 0.78213550 | 0.78136341 | 0.78227210 | 0.78223097 | 0.78092039 | 0.7803630170 | 0.78282860 |
| 0.90904255 | 0.78118576 | 0.78049309 | 0.77971870 | 0.78061680 | 0.78056933 | 0.77925764 | 0.7787001417 | 0.78118576 |
| 0.91158177 | 0.77954114 | 0.77884896 | 0.77807235 | 0.77895983 | 0.77890594 | 0.77759317 | 0.7770355598 | 0.77954115 |
| 0.91412100 | 0.77789483 | 0.77720319 | 0.77642445 | 0.77730127 | 0.77724089 | 0.77592706 | 0.7753693590 | 0.77789484 |
| 0.91666022 | 0.77624692 | 0.77555587 | 0.77477509 | 0.77564121 | 0.77557427 | 0.77425940 | 0.7737016262 | 0.77624692 |
| 0.91919945 | 0.77459749 | 0.77390708 | 0.77312434 | 0.77397973 | 0.77390616 | 0.77259027 | 0.7720324479 | 0.77459749 |
| 0.92173867 | 0.77294662 | 0.77225691 | 0.77147229 | 0.77231691 | 0.77223666 | 0.77091976 | 0.7703619094 | 0.77294662 |
| 0.92427790 | 0.77129440 | 0.77060544 | 0.76981902 | 0.77065285 | 0.77056584 | 0.76924796 | 0.7686900958 | 0.77129440 |
| 0.92681712 | 0.76964091 | 0.76895276 | 0.76816462 | 0.76898762 | 0.76889379 | 0.76757495 | 0.7670170910 | 0.76964092 |
| 0.92935635 | 0.76798624 | 0.76729894 | 0.76650916 | 0.76732131 | 0.76722060 | 0.76590081 | 0.7653429787 | 0.76798625 |
| 0.93189557 | 0.76633047 | 0.76564408 | 0.76485274 | 0.76565399 | 0.76554634 | 0.76422563 | 0.7636678415 | 0.76633047 |
| 0.93443480 | 0.76467368 | 0.76398824 | 0.76319542 | 0.76398575 | 0.76387111 | 0.76254949 | 0.7619917616 | 0.76467368 |
| 0.93697402 | 0.76301595 | 0.76233152 | 0.76153730 | 0.76231668 | 0.76219497 | 0.76087247 | 0.7603148204 | 0.76301595 |
| 0.93951325 | 0.76135735 | 0.76067398 | 0.75987844 | 0.76064684 | 0.76051802 | 0.75919465 | 0.7586370987 | 0.76135736 |
| 0.94205247 | 0.75969798 | 0.75901572 | 0.75821892 | 0.75897632 | 0.75884032 | 0.75751611 | 0.7569586766 | 0.75969799 |
| 0.94459170 | 0.75803791 | 0.75735680 | 0.75655883 | 0.75730520 | 0.75716197 | 0.75583693 | 0.7552796335 | 0.75803792 |
| 0.94713092 | 0.75637722 | 0.75569731 | 0.75489824 | 0.75563356 | 0.75548304 | 0.75415719 | 0.7536000484 | 0.75637722 |
| 0.94967015 | 0.75471598 | 0.75403732 | 0.75323723 | 0.75396146 | 0.75380361 | 0.75247697 | 0.7519199993 | 0.75471598 |
| 0.95220937 | 0.75305427 | 0.75237691 | 0.75157587 | 0.75228900 | 0.75212375 | 0.75079635 | 0.7502395638 | 0.75305427 |
| 0.95474860 | 0.75139217 | 0.75071615 | 0.74991424 | 0.75061624 | 0.75044355 | 0.74911539 | 0.7485588189 | 0.75139217 |
| 0.95728782 | 0.74972976 | 0.74905513 | 0.74825240 | 0.74894326 | 0.74876307 | 0.74743419 | 0.7468778408 | 0.74972976 |
| 0.95982705 | 0.74806710 | 0.74739391 | 0.74659045 | 0.74727013 | 0.74708241 | 0.74575281 | 0.7451967053 | 0.74806710 |
| 0.96236627 | 0.74640428 | 0.74573256 | 0.74492844 | 0.74559694 | 0.74540162 | 0.74407134 | 0.7435154874 | 0.74640428 |
| 0.96490550 | 0.74474136 | 0.74407117 | 0.74326646 | 0.74392375 | 0.74372078 | 0.74238983 | 0.7418342615 | 0.74474137 |
| 0.96744472 | 0.74307843 | 0.74240981 | 0.74160457 | 0.74225063 | 0.74203998 | 0.74070838 | 0.7401531016 | 0.74307843 |
| 0.96998395 | 0.74141555 | 0.74074854 | 0.73994285 | 0.74057766 | 0.74035928 | 0.73902705 | 0.7384720809 | 0.74141555 |
| 0.97252317 | 0.73975279 | 0.73908743 | 0.73828136 | 0.73890490 | 0.73867875 | 0.73734592 | 0.7367912720 | 0.73975280 |
| 0.97506240 | 0.73809024 | 0.73742657 | 0.73662018 | 0.73723244 | 0.73699847 | 0.73566505 | 0.7351107470 | 0.73809024 |
| 0.97760162 | 0.73642795 | 0.73576602 | 0.73495937 | 0.73556034 | 0.73531851 | 0.73398452 | 0.7334305774 | 0.73642795 |
| 0.98014085 | 0.73476600 | 0.73410585 | 0.73329901 | 0.73388867 | 0.73363894 | 0.73230440 | 0.7317508340 | 0.73476600 |
| 0.98268007 | 0.73310446 | 0.73244612 | 0.73163917 | 0.73221750 | 0.73195983 | 0.73062476 | 0.7300715872 | 0.73310446 |
| 0.98521930 | 0.73144339 | 0.73078691 | 0.72997990 | 0.73054690 | 0.73028125 | 0.72894567 | 0.7283929066 | 0.73144340 |
| 0.98775852 | 0.72978287 | 0.72912829 | 0.72832129 | 0.72887693 | 0.72860327 | 0.72726720 | 0.7267148615 | 0.72978288 |
| 0.99029775 | 0.72812297 | 0.72747032 | 0.72666339 | 0.72720767 | 0.72692595 | 0.72558942 | 0.7250375203 | 0.72812297 |
| 0.99283697 | 0.72646375 | 0.72581307 | 0.72500627 | 0.72553918 | 0.72524937 | 0.72391239 | 0.7233609511 | 0.72646375 |
| 0.99537620 | 0.72480527 | 0.72415661 | 0.72335000 | 0.72387153 | 0.72357360 | 0.72223619 | 0.7216852212 | 0.72480528 |
| 0.99791542 | 0.72314761 | 0.72250100 | 0.72169464 | 0.72220478 | 0.72189870 | 0.72056088 | 0.7200103976 | 0.72314762 |
| 1.00045460 | 0.72149084 | 0.72084630 | 0.72004026 | 0.72053900 | 0.72022473 | 0.71888652 | 0.7183365464 | 0.72149084 |
| 1.00299390 | 0.71983500 | 0.71919259 | 0.71838691 | 0.71887426 | 0.71855176 | 0.71721319 | 0.7166637333 | 0.71983501 |
| 1.00553310 | 0.71818018 | 0.71753992 | 0.71673468 | 0.71721061 | 0.71687986 | 0.71554095 | 0.7149920236 | 0.71818018 |
| 1.00807230 | 0.71652643 | 0.71588836 | 0.71508361 | 0.71554812 | 0.71520910 | 0.71386986 | 0.7133214818 | 0.71652644 |
| 1.01061150 | 0.71487382 | 0.71423798 | 0.71343377 | 0.71388686 | 0.71353953 | 0.71219999 | 0.7116521719 | 0.71487383 |
| 1.01315080 | 0.71322241 | 0.71258883 | 0.71178521 | 0.71222688 | 0.71187122 | 0.71053139 | 0.7099841574 | 0.71322242 |
| 1.01569000 | 0.71157227 | 0.71094097 | 0.71013802 | 0.71056825 | 0.71020424 | 0.70886415 | 0.7083175011 | 0.71157227 |
| 1.01822920 | 0.70992345 | 0.70929447 | 0.70849223 | 0.70891103 | 0.70853864 | 0.70719830 | 0.7066522654 | 0.70992345 |
| 1.02076840 | 0.70827602 | 0.70764940 | 0.70684792 | 0.70725529 | 0.70687448 | 0.70553393 | 0.7049885121 | 0.70827602 |
| 1.02330770 | 0.70663003 | 0.70600580 | 0.70520514 | 0.70560107 | 0.70521184 | 0.70387108 | 0.7033263023 | 0.70663003 |
| 1.02584690 | 0.70498555 | 0.70436374 | 0.70356395 | 0.70394844 | 0.70355076 | 0.70220983 | 0.7016656969 | 0.70498555 |
| 1.02838610 | 0.70334264 | 0.70272327 | 0.70192440 | 0.70229747 | 0.70189132 | 0.70055022 | 0.7000067559 | 0.70334264 |
| 1.03092530 | 0.70170136 | 0.70108447 | 0.70028657 | 0.70064820 | 0.70023356 | 0.69889233 | 0.6983495388 | 0.70170136 |
| 1.03346460 | 0.70006176 | 0.69944737 | 0.69865050 | 0.69900070 | 0.69857755 | 0.69723620 | 0.6966941046 | 0.70006176 |
| 1.03600380 | 0.69842390 | 0.69781205 | 0.69701625 | 0.69735502 | 0.69692335 | 0.69558190 | 0.6950405119 | 0.69842390 |
| 1.03854300 | 0.69678784 | 0.69617856 | 0.69538388 | 0.69571122 | 0.69527102 | 0.69392949 | 0.6933888186 | 0.69678785 |
| 1.04108220 | 0.69515364 | 0.69454695 | 0.69375345 | 0.69406937 | 0.69362060 | 0.69227902 | 0.6917390820 | 0.69515365 |
| 1.04362150 | 0.69352136 | 0.69291729 | 0.69212500 | 0.69242950 | 0.69197217 | 0.69063055 | 0.6900913589 | 0.69352136 |
| 1.04616070 | 0.69189104 | 0.69128962 | 0.69049859 | 0.69079168 | 0.69032577 | 0.68898414 | 0.6884457057 | 0.69189104 |
| 1.04869990 | 0.69026275 | 0.68966400 | 0.68887428 | 0.68915597 | 0.68868146 | 0.68733984 | 0.6868021779 | 0.69026275 |
| 1.05123910 | 0.68863654 | 0.68804049 | 0.68725213 | 0.68752241 | 0.68703930 | 0.68569771 | 0.6851608309 | 0.68863654 |
| 1.05377840 | 0.68701246 | 0.68641913 | 0.68563217 | 0.68589107 | 0.68539934 | 0.68405780 | 0.6835217192 | 0.68701246 |
| 1.05631760 | 0.68539057 | 0.68479999 | 0.68401447 | 0.68426199 | 0.68376164 | 0.68242017 | 0.6818848970 | 0.68539057 |
| 1.05885680 | 0.68377092 | 0.68318311 | 0.68239908 | 0.68263522 | 0.68212624 | 0.68078487 | 0.6802504177 | 0.68377093 |
| 1.06139600 | 0.68215357 | 0.68156855 | 0.68078605 | 0.68101083 | 0.68049321 | 0.67915195 | 0.6786183345 | 0.68215357 |
| 1.06393530 | 0.68053856 | 0.67995636 | 0.67917543 | 0.67938886 | 0.67886259 | 0.67752147 | 0.6769886997 | 0.68053856 |
| 1.06647450 | 0.67892594 | 0.67834659 | 0.67756728 | 0.67776935 | 0.67723444 | 0.67589347 | 0.6753615652 | 0.67892595 |
| 1.06901370 | 0.67731578 | 0.67673929 | 0.67596163 | 0.67615238 | 0.67560881 | 0.67426802 | 0.6737369825 | 0.67731578 |
| 1.07155290 | 0.67570811 | 0.67513450 | 0.67435854 | 0.67453797 | 0.67398574 | 0.67264515 | 0.6721150024 | 0.67570811 |
| 1.07409220 | 0.67410299 | 0.67353229 | 0.67275806 | 0.67292618 | 0.67236530 | 0.67102493 | 0.6704956751 | 0.67410299 |
| 1.07663140 | 0.67250047 | 0.67193270 | 0.67116023 | 0.67131707 | 0.67074752 | 0.66940740 | 0.6688790505 | 0.67250047 |
| 1.07917060 | 0.67090060 | 0.67033577 | 0.66956512 | 0.66971067 | 0.66913247 | 0.66779261 | 0.6672651777 | 0.67090060 |
| 1.08170980 | 0.66930342 | 0.66874156 | 0.66797275 | 0.66810705 | 0.66752018 | 0.66618060 | 0.6656541054 | 0.66930342 |
| 1.08424910 | 0.66770898 | 0.66715011 | 0.66638318 | 0.66650623 | 0.66591071 | 0.66457144 | 0.6640458819 | 0.66770898 |
| 1.08678830 | 0.66611733 | 0.66556147 | 0.66479646 | 0.66490828 | 0.66430410 | 0.66296516 | 0.6624405546 | 0.66611734 |
| 1.08932750 | 0.66452852 | 0.66397568 | 0.66321262 | 0.66331323 | 0.66270040 | 0.66136181 | 0.6608381707 | 0.66452853 |
| 1.09186670 | 0.66294260 | 0.66239279 | 0.66163173 | 0.66172114 | 0.66109966 | 0.65976144 | 0.6592387767 | 0.66294260 |
| 1.09440600 | 0.66135960 | 0.66081285 | 0.66005381 | 0.66013204 | 0.65950192 | 0.65816409 | 0.6576424186 | 0.66135960 |
| 1.09694520 | 0.65977957 | 0.65923590 | 0.65847891 | 0.65854599 | 0.65790723 | 0.65656982 | 0.6560491418 | 0.65977958 |
| 1.09948440 | 0.65820257 | 0.65766199 | 0.65690709 | 0.65696302 | 0.65631563 | 0.65497866 | 0.6544589914 | 0.65820257 |
| 1.10202360 | 0.65662862 | 0.65609115 | 0.65533837 | 0.65538319 | 0.65472717 | 0.65339066 | 0.6528720117 | 0.65662863 |
| 1.10456290 | 0.65505779 | 0.65452344 | 0.65377281 | 0.65380652 | 0.65314190 | 0.65180587 | 0.6512882465 | 0.65505779 |
| 1.10710210 | 0.65349010 | 0.65295889 | 0.65221044 | 0.65223308 | 0.65155985 | 0.65022432 | 0.6497077394 | 0.65349010 |
| 1.10964130 | 0.65192560 | 0.65139755 | 0.65065131 | 0.65066289 | 0.64998107 | 0.64864606 | 0.6481305330 | 0.65192561 |
| 1.11218050 | 0.65036434 | 0.64983945 | 0.64909546 | 0.64909600 | 0.64840560 | 0.64707114 | 0.6465566696 | 0.65036434 |
| 1.11471980 | 0.64880635 | 0.64828465 | 0.64754292 | 0.64753245 | 0.64683348 | 0.64549959 | 0.6449861910 | 0.64880636 |
| 1.11725900 | 0.64725168 | 0.64673317 | 0.64599374 | 0.64597229 | 0.64526476 | 0.64393146 | 0.6434191385 | 0.64725169 |
| 1.11979820 | 0.64570037 | 0.64518507 | 0.64444796 | 0.64441554 | 0.64369947 | 0.64236678 | 0.6418555528 | 0.64570037 |
| 1.12233740 | 0.64415245 | 0.64364037 | 0.64290562 | 0.64286226 | 0.64213765 | 0.64080560 | 0.6402954741 | 0.64415245 |
| 1.12487670 | 0.64260797 | 0.64209912 | 0.64136675 | 0.64131247 | 0.64057936 | 0.63924796 | 0.6387389419 | 0.64260797 |
| 1.12741590 | 0.64106696 | 0.64056136 | 0.63983139 | 0.63976622 | 0.63902461 | 0.63769389 | 0.6371859956 | 0.64106697 |
| 1.12995510 | 0.63952947 | 0.63902712 | 0.63829959 | 0.63822355 | 0.63747346 | 0.63614344 | 0.6356366737 | 0.63952947 |
| 1.13249430 | 0.63799553 | 0.63749644 | 0.63677137 | 0.63668449 | 0.63592594 | 0.63459664 | 0.6340910143 | 0.63799553 |
| 1.13503360 | 0.63646518 | 0.63596937 | 0.63524677 | 0.63514909 | 0.63438209 | 0.63305353 | 0.6325490550 | 0.63646518 |
| 1.13757280 | 0.63493845 | 0.63444593 | 0.63372584 | 0.63361737 | 0.63284194 | 0.63151415 | 0.6310108330 | 0.63493845 |
| 1.14011200 | 0.63341539 | 0.63292616 | 0.63220860 | 0.63208937 | 0.63130554 | 0.62997854 | 0.6294763847 | 0.63341539 |
| 1.14265120 | 0.63189602 | 0.63141010 | 0.63069508 | 0.63056513 | 0.62977291 | 0.62844672 | 0.6279457463 | 0.63189602 |
| 1.14519050 | 0.63038038 | 0.62989778 | 0.62918534 | 0.62904468 | 0.62824410 | 0.62691875 | 0.6264189532 | 0.63038039 |
| 1.14772970 | 0.62886852 | 0.62838923 | 0.62767939 | 0.62752806 | 0.62671914 | 0.62539464 | 0.6248960406 | 0.62886852 |
| 1.15026890 | 0.62736045 | 0.62688450 | 0.62617727 | 0.62601530 | 0.62519806 | 0.62387444 | 0.6233770429 | 0.62736046 |
| 1.15280810 | 0.62585623 | 0.62538361 | 0.62467902 | 0.62450643 | 0.62368090 | 0.62235818 | 0.6218619942 | 0.62585623 |
| 1.15534740 | 0.62435587 | 0.62388660 | 0.62318466 | 0.62300149 | 0.62216769 | 0.62084589 | 0.6203509279 | 0.62435587 |
| 1.15788660 | 0.62285941 | 0.62239350 | 0.62169423 | 0.62150051 | 0.62065847 | 0.61933761 | 0.6188438772 | 0.62285941 |
| 1.16042580 | 0.62136689 | 0.62090434 | 0.62020776 | 0.62000353 | 0.61915326 | 0.61783337 | 0.6173408746 | 0.62136689 |
| 1.16296500 | 0.61987834 | 0.61941915 | 0.61872529 | 0.61851056 | 0.61765211 | 0.61633321 | 0.6158419520 | 0.61987834 |
| 1.16550430 | 0.61839378 | 0.61793797 | 0.61724683 | 0.61702165 | 0.61615503 | 0.61483714 | 0.6143471410 | 0.61839378 |
| 1.16804350 | 0.61691325 | 0.61646082 | 0.61577243 | 0.61553683 | 0.61466207 | 0.61334521 | 0.6128564726 | 0.61691325 |
| 1.17058270 | 0.61543678 | 0.61498773 | 0.61430211 | 0.61405612 | 0.61317325 | 0.61185745 | 0.6113699773 | 0.61543679 |
| 1.17312190 | 0.61396440 | 0.61351874 | 0.61283590 | 0.61257955 | 0.61168860 | 0.61037388 | 0.6098876853 | 0.61396441 |
| 1.17566120 | 0.61249614 | 0.61205387 | 0.61137383 | 0.61110716 | 0.61020815 | 0.60889453 | 0.6084096261 | 0.61249615 |
| 1.17820040 | 0.61103203 | 0.61059316 | 0.60991593 | 0.60963896 | 0.60873194 | 0.60741944 | 0.6069358286 | 0.61103203 |
| 1.18073960 | 0.60957209 | 0.60913662 | 0.60846222 | 0.60817500 | 0.60725998 | 0.60594863 | 0.6054663217 | 0.60957210 |
| 1.18327880 | 0.60811636 | 0.60768429 | 0.60701273 | 0.60671529 | 0.60579232 | 0.60448213 | 0.6040011332 | 0.60811636 |
| 1.18581810 | 0.60666486 | 0.60623620 | 0.60556750 | 0.60525987 | 0.60432897 | 0.60301998 | 0.6025402910 | 0.60666486 |
| 1.18835730 | 0.60521762 | 0.60479237 | 0.60412653 | 0.60380876 | 0.60286996 | 0.60156218 | 0.6010838221 | 0.60521762 |
| 1.19089650 | 0.60377466 | 0.60335283 | 0.60268987 | 0.60236199 | 0.60141533 | 0.60010878 | 0.5996317532 | 0.60377466 |
| 1.19343570 | 0.60233601 | 0.60191760 | 0.60125754 | 0.60091957 | 0.59996509 | 0.59865980 | 0.5981841105 | 0.60233602 |
| 1.19597500 | 0.60090170 | 0.60048671 | 0.59982955 | 0.59948155 | 0.59851927 | 0.59721526 | 0.5967409198 | 0.60090171 |
| 1.19851420 | 0.59947176 | 0.59906018 | 0.59840595 | 0.59804794 | 0.59707790 | 0.59577520 | 0.5953022063 | 0.59947176 |
| 1.20105340 | 0.59804620 | 0.59763804 | 0.59698674 | 0.59661876 | 0.59564100 | 0.59433962 | 0.5938679949 | 0.59804620 |
| 1.20359260 | 0.59662505 | 0.59622032 | 0.59557196 | 0.59519405 | 0.59420860 | 0.59290857 | 0.5924383099 | 0.59662505 |
| 1.20613190 | 0.59520834 | 0.59480703 | 0.59416162 | 0.59377382 | 0.59278072 | 0.59148206 | 0.5910131751 | 0.59520834 |
| 1.20867110 | 0.59379608 | 0.59339819 | 0.59275575 | 0.59235810 | 0.59135738 | 0.59006012 | 0.5895926141 | 0.59379608 |
| 1.21121030 | 0.59238831 | 0.59199385 | 0.59135437 | 0.59094690 | 0.58993861 | 0.58864276 | 0.5881766497 | 0.59238831 |
| 1.21374950 | 0.59098504 | 0.59059400 | 0.58995751 | 0.58954026 | 0.58852443 | 0.58723002 | 0.5867653045 | 0.59098504 |
| 1.21628880 | 0.58958629 | 0.58919868 | 0.58856518 | 0.58813819 | 0.58711486 | 0.58582192 | 0.5853586006 | 0.58958630 |
| 1.21882800 | 0.58819210 | 0.58780791 | 0.58717740 | 0.58674072 | 0.58570993 | 0.58441847 | 0.5839565596 | 0.58819210 |
| 1.22136720 | 0.58680247 | 0.58642170 | 0.58579421 | 0.58534786 | 0.58430965 | 0.58301969 | 0.5825592026 | 0.58680247 |
| 1.22390640 | 0.58541743 | 0.58504009 | 0.58441560 | 0.58395964 | 0.58291405 | 0.58162562 | 0.5811665505 | 0.58541743 |
| 1.22644570 | 0.58403700 | 0.58366308 | 0.58304162 | 0.58257607 | 0.58152314 | 0.58023626 | 0.5797786236 | 0.58403700 |
| 1.22898490 | 0.58266120 | 0.58229070 | 0.58167227 | 0.58119718 | 0.58013695 | 0.57885165 | 0.5783954416 | 0.58266120 |
| 1.23152410 | 0.58129005 | 0.58092296 | 0.58030757 | 0.57982298 | 0.57875549 | 0.57747179 | 0.5770170241 | 0.58129005 |
| 1.23406330 | 0.57992357 | 0.57955990 | 0.57894754 | 0.57845350 | 0.57737879 | 0.57609670 | 0.5756433901 | 0.57992357 |
| 1.23660260 | 0.57856177 | 0.57820151 | 0.57759221 | 0.57708874 | 0.57600686 | 0.57472642 | 0.5742745580 | 0.57856177 |
| 1.23914180 | 0.57720468 | 0.57684783 | 0.57624158 | 0.57572874 | 0.57463972 | 0.57336095 | 0.5729105462 | 0.57720468 |
| 1.24168100 | 0.57585231 | 0.57549887 | 0.57489568 | 0.57437350 | 0.57327739 | 0.57200030 | 0.5715513723 | 0.57585231 |
| 1.24422020 | 0.57450468 | 0.57415464 | 0.57355451 | 0.57302304 | 0.57191989 | 0.57064451 | 0.5701970537 | 0.57450468 |
| 1.24675950 | 0.57316181 | 0.57281517 | 0.57221811 | 0.57167738 | 0.57056723 | 0.56929359 | 0.5688476073 | 0.57316181 |
| 1.24929870 | 0.57182370 | 0.57148047 | 0.57088648 | 0.57033654 | 0.56921943 | 0.56794755 | 0.5675030495 | 0.57182371 |
| 1.25183790 | 0.57049039 | 0.57015055 | 0.56955964 | 0.56900053 | 0.56787651 | 0.56660640 | 0.5661633964 | 0.57049040 |
| 1.25437710 | 0.56916189 | 0.56882544 | 0.56823760 | 0.56766937 | 0.56653848 | 0.56527017 | 0.5648286638 | 0.56916189 |
| 1.25691640 | 0.56783820 | 0.56750514 | 0.56692038 | 0.56634307 | 0.56520535 | 0.56393887 | 0.5634988669 | 0.56783820 |
| 1.25945560 | 0.56651935 | 0.56618967 | 0.56560800 | 0.56502164 | 0.56387715 | 0.56261252 | 0.5621740206 | 0.56651935 |
| 1.26199480 | 0.56520535 | 0.56487905 | 0.56430046 | 0.56370511 | 0.56255388 | 0.56129113 | 0.5608541394 | 0.56520535 |
| 1.26453400 | 0.56389621 | 0.56357328 | 0.56299779 | 0.56239347 | 0.56123557 | 0.55997470 | 0.5595392374 | 0.56389621 |
| 1.26707330 | 0.56259195 | 0.56227239 | 0.56169999 | 0.56108676 | 0.55992222 | 0.55866327 | 0.5582293282 | 0.56259195 |
| 1.26961250 | 0.56129258 | 0.56097638 | 0.56040707 | 0.55978498 | 0.55861385 | 0.55735684 | 0.5569244252 | 0.56129258 |
| 1.27215170 | 0.55999812 | 0.55968528 | 0.55911906 | 0.55848814 | 0.55731046 | 0.55605542 | 0.5556245414 | 0.55999812 |
| 1.27469090 | 0.55870857 | 0.55839908 | 0.55783596 | 0.55719625 | 0.55601209 | 0.55475902 | 0.5543296892 | 0.55870857 |
| 1.27723020 | 0.55742395 | 0.55711780 | 0.55655778 | 0.55590934 | 0.55471872 | 0.55346767 | 0.5530398809 | 0.55742395 |
| 1.27976940 | 0.55614427 | 0.55584147 | 0.55528454 | 0.55462740 | 0.55343039 | 0.55218136 | 0.5517551283 | 0.55614427 |
| 1.28230860 | 0.55486954 | 0.55457007 | 0.55401624 | 0.55335045 | 0.55214709 | 0.55090012 | 0.5504754427 | 0.55486954 |
| 1.28484780 | 0.55359978 | 0.55330364 | 0.55275290 | 0.55207851 | 0.55086885 | 0.54962395 | 0.5492008353 | 0.55359978 |
| 1.28738710 | 0.55233499 | 0.55204217 | 0.55149453 | 0.55081157 | 0.54959566 | 0.54835286 | 0.5479313168 | 0.55233499 |
| 1.28992630 | 0.55107518 | 0.55078568 | 0.55024113 | 0.54954966 | 0.54832755 | 0.54708687 | 0.5466668974 | 0.55107518 |
| 1.29246550 | 0.54982037 | 0.54953417 | 0.54899272 | 0.54829277 | 0.54706451 | 0.54582598 | 0.5454075872 | 0.54982037 |
| 1.29500470 | 0.54857056 | 0.54828767 | 0.54774931 | 0.54704093 | 0.54580657 | 0.54457021 | 0.5441533957 | 0.54857056 |
| 1.29754400 | 0.54732576 | 0.54704617 | 0.54651090 | 0.54579414 | 0.54455373 | 0.54331956 | 0.5429043324 | 0.54732577 |
| 1.30008320 | 0.54608599 | 0.54580968 | 0.54527750 | 0.54455240 | 0.54330600 | 0.54207404 | 0.5416604060 | 0.54608599 |
| 1.30262240 | 0.54485125 | 0.54457822 | 0.54404913 | 0.54331574 | 0.54206338 | 0.54083366 | 0.5404216252 | 0.54485125 |
| 1.30516160 | 0.54362155 | 0.54335179 | 0.54282579 | 0.54208414 | 0.54082589 | 0.53959843 | 0.5391879982 | 0.54362155 |
| 1.30770090 | 0.54239690 | 0.54213040 | 0.54160748 | 0.54085763 | 0.53959354 | 0.53836835 | 0.5379595328 | 0.54239690 |
| 1.31024010 | 0.54117730 | 0.54091406 | 0.54039422 | 0.53963621 | 0.53836632 | 0.53714345 | 0.5367362368 | 0.54117730 |
| 1.31277930 | 0.53996276 | 0.53970277 | 0.53918601 | 0.53841989 | 0.53714426 | 0.53592371 | 0.5355181172 | 0.53996276 |
| 1.31531850 | 0.53875329 | 0.53849655 | 0.53798285 | 0.53720866 | 0.53592735 | 0.53470915 | 0.5343051810 | 0.53875330 |
| 1.31785780 | 0.53754890 | 0.53729539 | 0.53678476 | 0.53600255 | 0.53471560 | 0.53349978 | 0.5330974347 | 0.53754890 |
| 1.32039700 | 0.53634959 | 0.53609930 | 0.53559175 | 0.53480156 | 0.53350902 | 0.53229559 | 0.5318948847 | 0.53634960 |
| 1.32293620 | 0.53515537 | 0.53490830 | 0.53440380 | 0.53360568 | 0.53230762 | 0.53109661 | 0.5306975368 | 0.53515538 |
| 1.32547540 | 0.53396625 | 0.53372238 | 0.53322094 | 0.53241493 | 0.53111139 | 0.52990283 | 0.5295053966 | 0.53396625 |
| 1.32801470 | 0.53278222 | 0.53254155 | 0.53204317 | 0.53122932 | 0.52992035 | 0.52871425 | 0.5283184695 | 0.53278222 |
| 1.33055390 | 0.53160330 | 0.53136582 | 0.53087049 | 0.53004884 | 0.52873450 | 0.52753090 | 0.5271367604 | 0.53160330 |
| 1.33309310 | 0.53042949 | 0.53019518 | 0.52970290 | 0.52887350 | 0.52755385 | 0.52635275 | 0.5259602740 | 0.53042949 |
| 1.33563230 | 0.52926079 | 0.52902965 | 0.52854041 | 0.52770331 | 0.52637840 | 0.52517983 | 0.5247890147 | 0.52926079 |
| 1.33817160 | 0.52809721 | 0.52786924 | 0.52738303 | 0.52653827 | 0.52520815 | 0.52401214 | 0.5236229866 | 0.52809721 |
| 1.34071080 | 0.52693875 | 0.52671393 | 0.52623075 | 0.52537838 | 0.52404311 | 0.52284968 | 0.5224621934 | 0.52693875 |
| 1.34325000 | 0.52578542 | 0.52556374 | 0.52508359 | 0.52422365 | 0.52288327 | 0.52169245 | 0.5213066386 | 0.52578542 |
| 1.34578920 | 0.52463721 | 0.52441867 | 0.52394153 | 0.52307407 | 0.52172866 | 0.52054046 | 0.5201563254 | 0.52463722 |
| 1.34832850 | 0.52349414 | 0.52327872 | 0.52280460 | 0.52192966 | 0.52057926 | 0.51939371 | 0.5190112567 | 0.52349414 |
| 1.35086770 | 0.52235621 | 0.52214389 | 0.52167278 | 0.52079042 | 0.51943508 | 0.51825220 | 0.5178714351 | 0.52235621 |
| 1.35340690 | 0.52122341 | 0.52101420 | 0.52054608 | 0.51965634 | 0.51829612 | 0.51711594 | 0.5167368629 | 0.52122341 |
| 1.35594610 | 0.52009574 | 0.51988963 | 0.51942451 | 0.51852743 | 0.51716239 | 0.51598493 | 0.5156075422 | 0.52009575 |
| 1.35848540 | 0.51897323 | 0.51877019 | 0.51830806 | 0.51740369 | 0.51603388 | 0.51485916 | 0.5144834747 | 0.51897323 |
| 1.36102460 | 0.51785585 | 0.51765589 | 0.51719674 | 0.51628512 | 0.51491060 | 0.51373864 | 0.5133646620 | 0.51785585 |
| 1.36356380 | 0.51674362 | 0.51654672 | 0.51609054 | 0.51517173 | 0.51379255 | 0.51262338 | 0.5122511053 | 0.51674362 |
| 1.36610300 | 0.51563653 | 0.51544269 | 0.51498947 | 0.51406351 | 0.51267972 | 0.51151337 | 0.5111428054 | 0.51563653 |
| 1.36864230 | 0.51453459 | 0.51434379 | 0.51389353 | 0.51296046 | 0.51157213 | 0.51040861 | 0.5100397632 | 0.51453459 |
| 1.37118150 | 0.51343780 | 0.51325002 | 0.51280272 | 0.51186259 | 0.51046977 | 0.50930911 | 0.5089419790 | 0.51343780 |
| 1.37372070 | 0.51234615 | 0.51216139 | 0.51171704 | 0.51076989 | 0.50937264 | 0.50821486 | 0.5078494529 | 0.51234615 |
| 1.37625990 | 0.51125965 | 0.51107790 | 0.51063649 | 0.50968237 | 0.50828074 | 0.50712586 | 0.5067621850 | 0.51125965 |
| 1.37879920 | 0.51017829 | 0.50999955 | 0.50956106 | 0.50860002 | 0.50719407 | 0.50604212 | 0.5056801748 | 0.51017830 |
| 1.38133840 | 0.50910209 | 0.50892633 | 0.50849076 | 0.50752284 | 0.50611264 | 0.50496363 | 0.5046034217 | 0.50910209 |
| 1.38387760 | 0.50803103 | 0.50785824 | 0.50742559 | 0.50645084 | 0.50503643 | 0.50389039 | 0.5035319249 | 0.50803103 |
| 1.38641680 | 0.50696511 | 0.50679529 | 0.50636554 | 0.50538401 | 0.50396545 | 0.50282240 | 0.5024656834 | 0.50696511 |
| 1.38895610 | 0.50590434 | 0.50573747 | 0.50531062 | 0.50432235 | 0.50289969 | 0.50175967 | 0.5014046956 | 0.50590434 |
| 1.39149530 | 0.50484871 | 0.50468479 | 0.50426082 | 0.50326585 | 0.50183916 | 0.50070218 | 0.5003489601 | 0.50484871 |
| 1.39403450 | 0.50379822 | 0.50363723 | 0.50321614 | 0.50221452 | 0.50078386 | 0.49964994 | 0.4992984751 | 0.50379822 |
| 1.39657370 | 0.50275286 | 0.50259479 | 0.50217658 | 0.50116836 | 0.49973377 | 0.49860294 | 0.4982532384 | 0.50275286 |
| 1.39911300 | 0.50171265 | 0.50155749 | 0.50114213 | 0.50012736 | 0.49868891 | 0.49756119 | 0.4972132478 | 0.50171265 |
| 1.40165220 | 0.50067757 | 0.50052530 | 0.50011280 | 0.49909152 | 0.49764926 | 0.49652467 | 0.4961785008 | 0.50067757 |
| 1.40419140 | 0.49964762 | 0.49949824 | 0.49908858 | 0.49806083 | 0.49661482 | 0.49549339 | 0.4951489946 | 0.49964762 |
| 1.40673060 | 0.49862279 | 0.49847629 | 0.49806947 | 0.49703530 | 0.49558560 | 0.49446735 | 0.4941247262 | 0.49862279 |
| 1.40926990 | 0.49760310 | 0.49745945 | 0.49705546 | 0.49601491 | 0.49456158 | 0.49344653 | 0.4931056924 | 0.49760310 |
| 1.41180910 | 0.49658852 | 0.49644773 | 0.49604655 | 0.49499968 | 0.49354277 | 0.49243095 | 0.4920918899 | 0.49658852 |
| 1.41434830 | 0.49557907 | 0.49544111 | 0.49504274 | 0.49398958 | 0.49252916 | 0.49142058 | 0.4910833148 | 0.49557907 |
| 1.41688750 | 0.49457473 | 0.49443960 | 0.49404402 | 0.49298463 | 0.49152074 | 0.49041544 | 0.4900799635 | 0.49457473 |
| 1.41942680 | 0.49357550 | 0.49344318 | 0.49305039 | 0.49198481 | 0.49051752 | 0.48941551 | 0.4890818318 | 0.49357550 |
| 1.42196600 | 0.49258138 | 0.49245186 | 0.49206184 | 0.49099012 | 0.48951948 | 0.48842080 | 0.4880889155 | 0.49258138 |
| 1.42450520 | 0.49159236 | 0.49146564 | 0.49107838 | 0.49000056 | 0.48852663 | 0.48743129 | 0.4871012099 | 0.49159236 |
| 1.42704440 | 0.49060843 | 0.49048449 | 0.49009999 | 0.48901612 | 0.48753896 | 0.48644698 | 0.4861187105 | 0.49060843 |
| 1.42958370 | 0.48962961 | 0.48950843 | 0.48912668 | 0.48803679 | 0.48655646 | 0.48546787 | 0.4851414124 | 0.48962961 |
| 1.43212290 | 0.48865587 | 0.48853744 | 0.48815843 | 0.48706257 | 0.48557914 | 0.48449395 | 0.4841693103 | 0.48865587 |
| 1.43466210 | 0.48768721 | 0.48757153 | 0.48719524 | 0.48609346 | 0.48460697 | 0.48352522 | 0.4832023991 | 0.48768721 |
| 1.43720130 | 0.48672363 | 0.48661068 | 0.48623710 | 0.48512946 | 0.48363997 | 0.48256168 | 0.4822406731 | 0.48672363 |
| 1.43974060 | 0.48576512 | 0.48565489 | 0.48528402 | 0.48417054 | 0.48267811 | 0.48160330 | 0.4812841268 | 0.48576512 |
| 1.44227980 | 0.48481168 | 0.48470416 | 0.48433597 | 0.48321671 | 0.48172141 | 0.48065010 | 0.4803327541 | 0.48481168 |
| 1.44481900 | 0.48386330 | 0.48375847 | 0.48339297 | 0.48226797 | 0.48076984 | 0.47970206 | 0.4793865490 | 0.48386330 |
| 1.44735820 | 0.48291998 | 0.48281783 | 0.48245499 | 0.48132430 | 0.47982341 | 0.47875918 | 0.4784455052 | 0.48291998 |
| 1.44989750 | 0.48198170 | 0.48188222 | 0.48152205 | 0.48038570 | 0.47888210 | 0.47782145 | 0.4775096163 | 0.48198170 |
| 1.45243670 | 0.48104847 | 0.48095164 | 0.48059412 | 0.47945217 | 0.47794592 | 0.47688887 | 0.4765788755 | 0.48104847 |
| 1.45497590 | 0.48012026 | 0.48002608 | 0.47967120 | 0.47852369 | 0.47701485 | 0.47596142 | 0.4756532761 | 0.48012027 |
| 1.45751510 | 0.47919709 | 0.47910554 | 0.47875328 | 0.47760026 | 0.47608889 | 0.47503910 | 0.4747328110 | 0.47919709 |
| 1.46005440 | 0.47827894 | 0.47819000 | 0.47784036 | 0.47668187 | 0.47516803 | 0.47412191 | 0.4738174730 | 0.47827894 |
| 1.46259360 | 0.47736580 | 0.47727947 | 0.47693244 | 0.47576851 | 0.47425227 | 0.47320983 | 0.4729072547 | 0.47736580 |
| 1.46513280 | 0.47645767 | 0.47637393 | 0.47602949 | 0.47486019 | 0.47334158 | 0.47230286 | 0.4720021486 | 0.47645767 |
| 1.46767200 | 0.47555454 | 0.47547338 | 0.47513152 | 0.47395688 | 0.47243598 | 0.47140099 | 0.4711021469 | 0.47555454 |
| 1.47021130 | 0.47465640 | 0.47457781 | 0.47423852 | 0.47305858 | 0.47153544 | 0.47050421 | 0.4702072418 | 0.47465640 |
| 1.47275050 | 0.47376324 | 0.47368721 | 0.47335047 | 0.47216529 | 0.47063997 | 0.46961252 | 0.4693174250 | 0.47376324 |
| 1.47528970 | 0.47287506 | 0.47280157 | 0.47246738 | 0.47127699 | 0.46974955 | 0.46872591 | 0.4684326885 | 0.47287506 |
| 1.47782890 | 0.47199184 | 0.47192088 | 0.47158923 | 0.47039367 | 0.46886417 | 0.46784436 | 0.4675530237 | 0.47199184 |
| 1.48036820 | 0.47111359 | 0.47104514 | 0.47071601 | 0.46951534 | 0.46798383 | 0.46696787 | 0.4666784222 | 0.47111359 |
| 1.48290740 | 0.47024028 | 0.47017434 | 0.46984772 | 0.46864197 | 0.46710852 | 0.46609644 | 0.4658088750 | 0.47024028 |
| 1.48544660 | 0.46937191 | 0.46930846 | 0.46898434 | 0.46777356 | 0.46623822 | 0.46523004 | 0.4649443734 | 0.46937191 |
| 1.48798580 | 0.46850848 | 0.46844750 | 0.46812587 | 0.46691011 | 0.46537294 | 0.46436868 | 0.4640849082 | 0.46850848 |
| 1.49052510 | 0.46764997 | 0.46759146 | 0.46727230 | 0.46605159 | 0.46451266 | 0.46351234 | 0.4632304703 | 0.46764997 |
| 1.49306430 | 0.46679637 | 0.46674031 | 0.46642362 | 0.46519801 | 0.46365736 | 0.46266102 | 0.4623810502 | 0.46679637 |
| 1.49560350 | 0.46594768 | 0.46589406 | 0.46557982 | 0.46434935 | 0.46280705 | 0.46181470 | 0.4615366383 | 0.46594768 |
| 1.49814270 | 0.46510388 | 0.46505269 | 0.46474088 | 0.46350560 | 0.46196171 | 0.46097337 | 0.4606972250 | 0.46510388 |
| 1.50068200 | 0.46426496 | 0.46421619 | 0.46390681 | 0.46266676 | 0.46112133 | 0.46013703 | 0.4598628004 | 0.46426496 |
| 1.50322120 | 0.46343093 | 0.46338455 | 0.46307759 | 0.46183281 | 0.46028590 | 0.45930567 | 0.4590333545 | 0.46343093 |
| 1.50576040 | 0.46260175 | 0.46255777 | 0.46225320 | 0.46100375 | 0.45945542 | 0.45847927 | 0.4582088772 | 0.46260175 |
| 1.50829960 | 0.46177744 | 0.46173583 | 0.46143365 | 0.46017955 | 0.45862986 | 0.45765782 | 0.4573893580 | 0.46177744 |
| 1.51083890 | 0.46095796 | 0.46091872 | 0.46061892 | 0.45936022 | 0.45780923 | 0.45684132 | 0.4565747866 | 0.46095796 |
| 1.51337810 | 0.46014333 | 0.46010643 | 0.45980900 | 0.45854574 | 0.45699351 | 0.45602975 | 0.4557651524 | 0.46014333 |
| 1.51591730 | 0.45933351 | 0.45929895 | 0.45900387 | 0.45773610 | 0.45618268 | 0.45522311 | 0.4549604445 | 0.45933351 |
| 1.51845650 | 0.45852851 | 0.45849627 | 0.45820353 | 0.45693129 | 0.45537675 | 0.45442138 | 0.4541606521 | 0.45852851 |
| 1.52099580 | 0.45772831 | 0.45769838 | 0.45740797 | 0.45613130 | 0.45457569 | 0.45362454 | 0.4533657641 | 0.45772831 |
| 1.52353500 | 0.45693290 | 0.45690527 | 0.45661717 | 0.45533612 | 0.45377949 | 0.45283260 | 0.4525757694 | 0.45693290 |
| 1.52607420 | 0.45614227 | 0.45611693 | 0.45583113 | 0.45454574 | 0.45298816 | 0.45204554 | 0.4517906565 | 0.45614227 |
| 1.52861340 | 0.45535641 | 0.45533334 | 0.45504983 | 0.45376014 | 0.45220166 | 0.45126334 | 0.4510104142 | 0.45535641 |
| 1.53115270 | 0.45457531 | 0.45455449 | 0.45427326 | 0.45297931 | 0.45142000 | 0.45048599 | 0.4502350306 | 0.45457531 |
| 1.53369190 | 0.45379895 | 0.45378038 | 0.45350142 | 0.45220325 | 0.45064316 | 0.44971350 | 0.4494644941 | 0.45379895 |
| 1.53623110 | 0.45302733 | 0.45301099 | 0.45273428 | 0.45143193 | 0.44987112 | 0.44894583 | 0.4486987928 | 0.45302733 |
| 1.53877030 | 0.45226043 | 0.45224631 | 0.45197183 | 0.45066536 | 0.44910388 | 0.44818298 | 0.4479379147 | 0.45226043 |
| 1.54130960 | 0.45149823 | 0.45148632 | 0.45121407 | 0.44990350 | 0.44834143 | 0.44742494 | 0.4471818476 | 0.45149823 |
| 1.54384880 | 0.45074074 | 0.45073102 | 0.45046098 | 0.44914637 | 0.44758375 | 0.44667169 | 0.4464305792 | 0.45074074 |
| 1.54638800 | 0.44998793 | 0.44998040 | 0.44971256 | 0.44839393 | 0.44683082 | 0.44592323 | 0.4456840971 | 0.44998793 |
| 1.54892720 | 0.44923979 | 0.44923443 | 0.44896878 | 0.44764618 | 0.44608265 | 0.44517954 | 0.4449423887 | 0.44923980 |
| 1.55146650 | 0.44849632 | 0.44849311 | 0.44822963 | 0.44690311 | 0.44533920 | 0.44444060 | 0.4442054414 | 0.44849632 |
| 1.55400570 | 0.44775749 | 0.44775642 | 0.44749510 | 0.44616470 | 0.44460048 | 0.44370641 | 0.4434732423 | 0.44775749 |
| 1.55654490 | 0.44702330 | 0.44702436 | 0.44676519 | 0.44543094 | 0.44386647 | 0.44297695 | 0.4427457784 | 0.44702330 |
| 1.55908410 | 0.44629373 | 0.44629690 | 0.44603987 | 0.44470182 | 0.44313715 | 0.44225221 | 0.4420230368 | 0.44629373 |
| 1.56162340 | 0.44556877 | 0.44557405 | 0.44531913 | 0.44397733 | 0.44241251 | 0.44153217 | 0.4413050041 | 0.44556877 |
| 1.56416260 | 0.44484840 | 0.44485577 | 0.44460297 | 0.44325744 | 0.44169254 | 0.44081683 | 0.4405916671 | 0.44484840 |
| 1.56670180 | 0.44413262 | 0.44414206 | 0.44389135 | 0.44254215 | 0.44097723 | 0.44010616 | 0.4398830122 | 0.44413262 |
| 1.56924100 | 0.44342140 | 0.44343291 | 0.44318429 | 0.44183145 | 0.44026655 | 0.43940016 | 0.4391790260 | 0.44342140 |
| 1.57178030 | 0.44271474 | 0.44272831 | 0.44248175 | 0.44112531 | 0.43956051 | 0.43869881 | 0.4384796946 | 0.44271475 |
| 1.57431950 | 0.44201263 | 0.44202823 | 0.44178373 | 0.44042373 | 0.43885908 | 0.43800210 | 0.4377850043 | 0.44201263 |
| 1.57685870 | 0.44131504 | 0.44133266 | 0.44109021 | 0.43972670 | 0.43816225 | 0.43731001 | 0.4370949410 | 0.44131504 |
| 1.57939790 | 0.44062196 | 0.44064160 | 0.44040117 | 0.43903419 | 0.43747000 | 0.43662253 | 0.4364094907 | 0.44062196 |
| 1.58193720 | 0.43993339 | 0.43995503 | 0.43971661 | 0.43834619 | 0.43678233 | 0.43593965 | 0.4357286393 | 0.43993339 |
| 1.58447640 | 0.43924930 | 0.43927292 | 0.43903652 | 0.43766270 | 0.43609921 | 0.43526134 | 0.4350523722 | 0.43924930 |
| 1.58701560 | 0.43856968 | 0.43859528 | 0.43836086 | 0.43698369 | 0.43542064 | 0.43458761 | 0.4343806752 | 0.43856968 |
| 1.58955480 | 0.43789452 | 0.43792208 | 0.43768964 | 0.43630915 | 0.43474659 | 0.43391842 | 0.4337135336 | 0.43789452 |
| 1.59209410 | 0.43722380 | 0.43725331 | 0.43702283 | 0.43563907 | 0.43407706 | 0.43325377 | 0.4330509327 | 0.43722380 |
| 1.59463330 | 0.43655751 | 0.43658895 | 0.43636043 | 0.43497343 | 0.43341203 | 0.43259365 | 0.4323928578 | 0.43655751 |
| 1.59717250 | 0.43589563 | 0.43592900 | 0.43570241 | 0.43431222 | 0.43275148 | 0.43193803 | 0.4317392938 | 0.43589563 |
| 1.59971170 | 0.43523815 | 0.43527343 | 0.43504876 | 0.43365541 | 0.43209540 | 0.43128690 | 0.4310902257 | 0.43523815 |
| 1.60225100 | 0.43458506 | 0.43462223 | 0.43439947 | 0.43300301 | 0.43144377 | 0.43064025 | 0.4304456384 | 0.43458506 |
| 1.60479020 | 0.43393633 | 0.43397538 | 0.43375453 | 0.43235498 | 0.43079658 | 0.42999806 | 0.4298055166 | 0.43393633 |
| 1.60732940 | 0.43329195 | 0.43333288 | 0.43311390 | 0.43171132 | 0.43015381 | 0.42936032 | 0.4291698448 | 0.43329195 |
| 1.60986860 | 0.43265191 | 0.43269469 | 0.43247759 | 0.43107202 | 0.42951545 | 0.42872701 | 0.4285386076 | 0.43265191 |
| 1.61240790 | 0.43201619 | 0.43206082 | 0.43184558 | 0.43043704 | 0.42888149 | 0.42809811 | 0.4279117892 | 0.43201619 |
| 1.61494710 | 0.43138478 | 0.43143124 | 0.43121785 | 0.42980639 | 0.42825189 | 0.42747362 | 0.4272893740 | 0.43138478 |
| 1.61748630 | 0.43075766 | 0.43080594 | 0.43059438 | 0.42918004 | 0.42762666 | 0.42685350 | 0.4266713460 | 0.43075766 |
| 1.62002550 | 0.43013482 | 0.43018490 | 0.42997515 | 0.42855797 | 0.42700577 | 0.42623776 | 0.4260576893 | 0.43013482 |
| 1.62256480 | 0.42951623 | 0.42956811 | 0.42936016 | 0.42794018 | 0.42638922 | 0.42562636 | 0.4254483877 | 0.42951623 |
| 1.62510400 | 0.42890188 | 0.42895554 | 0.42874939 | 0.42732664 | 0.42577697 | 0.42501930 | 0.4248434251 | 0.42890188 |
| 1.62764320 | 0.42829176 | 0.42834719 | 0.42814282 | 0.42671734 | 0.42516901 | 0.42441656 | 0.4242427851 | 0.42829176 |
| 1.63018240 | 0.42768585 | 0.42774304 | 0.42754043 | 0.42611227 | 0.42456534 | 0.42381813 | 0.4236464512 | 0.42768585 |
| 1.63272170 | 0.42708414 | 0.42714307 | 0.42694221 | 0.42551140 | 0.42396593 | 0.42322397 | 0.4230544069 | 0.42708414 |
| 1.63526090 | 0.42648660 | 0.42654726 | 0.42634813 | 0.42491472 | 0.42337076 | 0.42263409 | 0.4224666355 | 0.42648660 |
| 1.63780010 | 0.42589322 | 0.42595560 | 0.42575820 | 0.42432221 | 0.42277983 | 0.42204846 | 0.4218831202 | 0.42589322 |
| 1.64033930 | 0.42530398 | 0.42536807 | 0.42517238 | 0.42373386 | 0.42219310 | 0.42146707 | 0.4213038441 | 0.42530398 |
| 1.64287860 | 0.42471888 | 0.42478465 | 0.42459066 | 0.42314964 | 0.42161057 | 0.42088989 | 0.4207287902 | 0.42471888 |
| 1.64541780 | 0.42413788 | 0.42420533 | 0.42401302 | 0.42256955 | 0.42103222 | 0.42031691 | 0.4201579413 | 0.42413788 |
| 1.64795700 | 0.42356097 | 0.42363009 | 0.42343946 | 0.42199356 | 0.42045803 | 0.41974812 | 0.4195912802 | 0.42356097 |
| 1.65049620 | 0.42298814 | 0.42305891 | 0.42286994 | 0.42142166 | 0.41988798 | 0.41918350 | 0.4190287895 | 0.42298814 |
| 1.65303550 | 0.42241937 | 0.42249178 | 0.42230445 | 0.42085383 | 0.41932206 | 0.41862302 | 0.4184704517 | 0.42241937 |
| 1.65557470 | 0.42185463 | 0.42192868 | 0.42174298 | 0.42029005 | 0.41876024 | 0.41806668 | 0.4179162493 | 0.42185463 |
| 1.65811390 | 0.42129392 | 0.42136958 | 0.42118550 | 0.41973031 | 0.41820252 | 0.41751445 | 0.4173661646 | 0.42129392 |
| 1.66065310 | 0.42073722 | 0.42081448 | 0.42063200 | 0.41917458 | 0.41764887 | 0.41696632 | 0.4168201797 | 0.42073722 |
| 1.66319240 | 0.42018450 | 0.42026336 | 0.42008247 | 0.41862286 | 0.41709927 | 0.41642226 | 0.4162782767 | 0.42018450 |
| 1.66573160 | 0.41963576 | 0.41971619 | 0.41953688 | 0.41807511 | 0.41655371 | 0.41588226 | 0.4157404376 | 0.41963576 |
| 1.66827080 | 0.41909096 | 0.41917296 | 0.41899521 | 0.41753133 | 0.41601217 | 0.41534631 | 0.4152066443 | 0.41909096 |
| 1.67081000 | 0.41855010 | 0.41863365 | 0.41845745 | 0.41699149 | 0.41547463 | 0.41481438 | 0.4146768783 | 0.41855010 |
| 1.67334930 | 0.41801315 | 0.41809824 | 0.41792358 | 0.41645558 | 0.41494107 | 0.41428646 | 0.4141511215 | 0.41801315 |
| 1.67588850 | 0.41748010 | 0.41756672 | 0.41739358 | 0.41592357 | 0.41441148 | 0.41376252 | 0.4136293553 | 0.41748010 |
| 1.67842770 | 0.41695093 | 0.41703907 | 0.41686744 | 0.41539546 | 0.41388583 | 0.41324255 | 0.4131115611 | 0.41695093 |
| 1.68096690 | 0.41642562 | 0.41651526 | 0.41634513 | 0.41487122 | 0.41336410 | 0.41272653 | 0.4125977201 | 0.41642562 |
| 1.68350620 | 0.41590415 | 0.41599528 | 0.41582663 | 0.41435083 | 0.41284629 | 0.41221444 | 0.4120878137 | 0.41590414 |
| 1.68604540 | 0.41538650 | 0.41547911 | 0.41531193 | 0.41383427 | 0.41233236 | 0.41170626 | 0.4115818227 | 0.41538650 |
| 1.68858460 | 0.41487265 | 0.41496673 | 0.41480101 | 0.41332153 | 0.41182230 | 0.41120198 | 0.4110797283 | 0.41487265 |
| 1.69112380 | 0.41436259 | 0.41445812 | 0.41429384 | 0.41281258 | 0.41131610 | 0.41070157 | 0.4105815111 | 0.41436259 |
| 1.69366310 | 0.41385630 | 0.41395327 | 0.41379042 | 0.41230741 | 0.41081372 | 0.41020501 | 0.4100871520 | 0.41385630 |
| 1.69620230 | 0.41335375 | 0.41345214 | 0.41329072 | 0.41180599 | 0.41031515 | 0.40971229 | 0.4095966316 | 0.41335375 |
| 1.69874150 | 0.41285492 | 0.41295474 | 0.41279471 | 0.41130832 | 0.40982038 | 0.40922338 | 0.4091099303 | 0.41285492 |
| 1.70128070 | 0.41235981 | 0.41246103 | 0.41230239 | 0.41081436 | 0.40932938 | 0.40873827 | 0.4086270286 | 0.41235981 |
| 1.70382000 | 0.41186838 | 0.41197099 | 0.41181373 | 0.41032410 | 0.40884214 | 0.40825694 | 0.4081479067 | 0.41186838 |
| 1.70635920 | 0.41138062 | 0.41148461 | 0.41132872 | 0.40983752 | 0.40835862 | 0.40777936 | 0.4076725448 | 0.41138062 |
| 1.70889840 | 0.41089651 | 0.41100186 | 0.41084732 | 0.40935460 | 0.40787882 | 0.40730552 | 0.4072009230 | 0.41089651 |
| 1.71143760 | 0.41041603 | 0.41052274 | 0.41036953 | 0.40887531 | 0.40740272 | 0.40683539 | 0.4067330213 | 0.41041603 |
| 1.71397690 | 0.40993915 | 0.41004720 | 0.40989532 | 0.40839965 | 0.40693028 | 0.40636896 | 0.4062688193 | 0.40993915 |
| 1.71651610 | 0.40946586 | 0.40957525 | 0.40942468 | 0.40792758 | 0.40646150 | 0.40590621 | 0.4058082969 | 0.40946586 |
| 1.71905530 | 0.40899615 | 0.40910684 | 0.40895757 | 0.40745910 | 0.40599635 | 0.40544711 | 0.4053514337 | 0.40899615 |
| 1.72159450 | 0.40852997 | 0.40864198 | 0.40849399 | 0.40699417 | 0.40553482 | 0.40499165 | 0.4048982092 | 0.40852997 |
| 1.72413380 | 0.40806733 | 0.40818063 | 0.40803391 | 0.40653278 | 0.40507687 | 0.40453980 | 0.4044486027 | 0.40806733 |
| 1.72667300 | 0.40760819 | 0.40772277 | 0.40757731 | 0.40607490 | 0.40462250 | 0.40409154 | 0.4040025935 | 0.40760819 |
| 1.72921220 | 0.40715254 | 0.40726839 | 0.40712417 | 0.40562052 | 0.40417168 | 0.40364686 | 0.4035601608 | 0.40715254 |
| 1.73175140 | 0.40670036 | 0.40681746 | 0.40667447 | 0.40516962 | 0.40372438 | 0.40320573 | 0.4031212836 | 0.40670035 |
| 1.73429070 | 0.40625161 | 0.40636996 | 0.40622819 | 0.40472217 | 0.40328060 | 0.40276813 | 0.4026859409 | 0.40625161 |
| 1.73682990 | 0.40580629 | 0.40592587 | 0.40578531 | 0.40427816 | 0.40284030 | 0.40233404 | 0.4022541115 | 0.40580629 |
| 1.73936910 | 0.40536438 | 0.40548517 | 0.40534580 | 0.40383755 | 0.40240346 | 0.40190344 | 0.4018257741 | 0.40536438 |
| 1.74190830 | 0.40492584 | 0.40504784 | 0.40490965 | 0.40340034 | 0.40197008 | 0.40147631 | 0.4014009073 | 0.40492584 |
| 1.74444760 | 0.40449066 | 0.40461386 | 0.40447683 | 0.40296650 | 0.40154011 | 0.40105262 | 0.4009794895 | 0.40449066 |
| 1.74698680 | 0.40405882 | 0.40418320 | 0.40404733 | 0.40253600 | 0.40111354 | 0.40063235 | 0.4005614992 | 0.40405882 |
| 1.74952600 | 0.40363030 | 0.40375585 | 0.40362112 | 0.40210883 | 0.40069036 | 0.40021549 | 0.4001469147 | 0.40363030 |
| 1.75206520 | 0.40320507 | 0.40333178 | 0.40319817 | 0.40168497 | 0.40027053 | 0.39980201 | 0.3997357140 | 0.40320507 |
| 1.75460450 | 0.40278312 | 0.40291097 | 0.40277848 | 0.40126439 | 0.39985404 | 0.39939188 | 0.3993278752 | 0.40278312 |
| 1.75714370 | 0.40236442 | 0.40249340 | 0.40236201 | 0.40084707 | 0.39944087 | 0.39898509 | 0.3989233762 | 0.40236441 |
| 1.75968290 | 0.40194894 | 0.40207905 | 0.40194874 | 0.40043299 | 0.39903098 | 0.39858162 | 0.3985221948 | 0.40194894 |
| 1.76222210 | 0.40153667 | 0.40166789 | 0.40153865 | 0.40002213 | 0.39862436 | 0.39818144 | 0.3981243088 | 0.40153667 |
| 1.76476140 | 0.40112759 | 0.40125991 | 0.40113173 | 0.39961446 | 0.39822100 | 0.39778453 | 0.3977296958 | 0.40112759 |
| 1.76730060 | 0.40072167 | 0.40085507 | 0.40072794 | 0.39920996 | 0.39782085 | 0.39739086 | 0.3973383331 | 0.40072167 |
| 1.76983980 | 0.40031889 | 0.40045336 | 0.40032727 | 0.39880861 | 0.39742391 | 0.39700042 | 0.3969501982 | 0.40031889 |
| 1.77237900 | 0.39991922 | 0.40005476 | 0.39992968 | 0.39841039 | 0.39703015 | 0.39661318 | 0.3965652683 | 0.39991922 |
| 1.77491830 | 0.39952266 | 0.39965924 | 0.39953517 | 0.39801528 | 0.39663955 | 0.39622912 | 0.3961835205 | 0.39952266 |
| 1.77745750 | 0.39912916 | 0.39926678 | 0.39914371 | 0.39762324 | 0.39625207 | 0.39584821 | 0.3958049319 | 0.39912916 |
| 1.77999670 | 0.39873871 | 0.39887736 | 0.39875526 | 0.39723427 | 0.39586771 | 0.39547044 | 0.3954294794 | 0.39873871 |
| 1.78253590 | 0.39835129 | 0.39849095 | 0.39836982 | 0.39684833 | 0.39548644 | 0.39509577 | 0.3950571398 | 0.39835129 |
| 1.78507520 | 0.39796687 | 0.39810753 | 0.39798736 | 0.39646540 | 0.39510823 | 0.39472420 | 0.3946878897 | 0.39796687 |
| 1.78761440 | 0.39758543 | 0.39772708 | 0.39760785 | 0.39608546 | 0.39473307 | 0.39435568 | 0.3943217058 | 0.39758543 |
| 1.79015360 | 0.39720695 | 0.39734957 | 0.39723128 | 0.39570849 | 0.39436092 | 0.39399021 | 0.3939585646 | 0.39720695 |
| 1.79269280 | 0.39683140 | 0.39697499 | 0.39685761 | 0.39533446 | 0.39399176 | 0.39362775 | 0.3935984423 | 0.39683140 |
| 1.79523210 | 0.39645876 | 0.39660330 | 0.39648682 | 0.39496335 | 0.39362558 | 0.39326828 | 0.3932413152 | 0.39645876 |
| 1.79777130 | 0.39608900 | 0.39623449 | 0.39611890 | 0.39459513 | 0.39326234 | 0.39291178 | 0.3928871594 | 0.39608900 |
| 1.80031050 | 0.39572211 | 0.39586852 | 0.39575381 | 0.39422979 | 0.39290203 | 0.39255823 | 0.3925359510 | 0.39572211 |
| 1.80284970 | 0.39535805 | 0.39550538 | 0.39539154 | 0.39386729 | 0.39254461 | 0.39220759 | 0.3921876659 | 0.39535805 |
| 1.80538900 | 0.39499681 | 0.39514505 | 0.39503205 | 0.39350762 | 0.39219007 | 0.39185985 | 0.3918422798 | 0.39499681 |
| 1.80792820 | 0.39463836 | 0.39478749 | 0.39467533 | 0.39315074 | 0.39183838 | 0.39151498 | 0.3914997685 | 0.39463836 |
| 1.81046740 | 0.39428267 | 0.39443268 | 0.39432135 | 0.39279664 | 0.39148951 | 0.39117296 | 0.3911601075 | 0.39428267 |
| 1.81300660 | 0.39392973 | 0.39408061 | 0.39397009 | 0.39244530 | 0.39114345 | 0.39083376 | 0.3908232722 | 0.39392973 |
| 1.81554590 | 0.39357950 | 0.39373124 | 0.39362152 | 0.39209667 | 0.39080016 | 0.39049736 | 0.3904892381 | 0.39357950 |
| 1.81808510 | 0.39323197 | 0.39338455 | 0.39327562 | 0.39175075 | 0.39045963 | 0.39016373 | 0.3901579804 | 0.39323197 |
| 1.82062430 | 0.39288710 | 0.39304052 | 0.39293236 | 0.39140751 | 0.39012182 | 0.38983286 | 0.3898294742 | 0.39288710 |
| 1.82316350 | 0.39254487 | 0.39269911 | 0.39259172 | 0.39106692 | 0.38978672 | 0.38950470 | 0.3895036945 | 0.39254487 |
| 1.82570280 | 0.39220527 | 0.39236032 | 0.39225367 | 0.39072896 | 0.38945429 | 0.38917924 | 0.3891806163 | 0.39220527 |
| 1.82824200 | 0.39186826 | 0.39202410 | 0.39191819 | 0.39039360 | 0.38912452 | 0.38885646 | 0.3888602143 | 0.39186826 |
| 1.83078120 | 0.39153381 | 0.39169044 | 0.39158525 | 0.39006081 | 0.38879738 | 0.38853632 | 0.3885424633 | 0.39153381 |
| 1.83332040 | 0.39120191 | 0.39135932 | 0.39125483 | 0.38973058 | 0.38847284 | 0.38821881 | 0.3882273378 | 0.39120191 |
| 1.83585970 | 0.39087253 | 0.39103070 | 0.39092691 | 0.38940288 | 0.38815087 | 0.38790389 | 0.3879148123 | 0.39087253 |
| 1.83839890 | 0.39054564 | 0.39070456 | 0.39060145 | 0.38907768 | 0.38783146 | 0.38759155 | 0.3876048612 | 0.39054564 |
| 1.84093810 | 0.39022121 | 0.39038087 | 0.39027844 | 0.38875495 | 0.38751457 | 0.38728175 | 0.3872974587 | 0.39022121 |
| 1.84347730 | 0.38989923 | 0.39005961 | 0.38995784 | 0.38843468 | 0.38720018 | 0.38697447 | 0.3869925790 | 0.38989923 |
| 1.84601660 | 0.38957966 | 0.38974076 | 0.38963964 | 0.38811683 | 0.38688827 | 0.38666969 | 0.3866901962 | 0.38957966 |
| 1.84855580 | 0.38926249 | 0.38942429 | 0.38932379 | 0.38780137 | 0.38657880 | 0.38636737 | 0.3863902841 | 0.38926249 |
| 1.85109500 | 0.38894767 | 0.38911017 | 0.38901029 | 0.38748830 | 0.38627176 | 0.38606749 | 0.3860928167 | 0.38894767 |
| 1.85363420 | 0.38863520 | 0.38879837 | 0.38869910 | 0.38717757 | 0.38596711 | 0.38577003 | 0.3857977676 | 0.38863520 |
| 1.85617350 | 0.38832504 | 0.38848888 | 0.38839020 | 0.38686916 | 0.38566483 | 0.38547496 | 0.3855051105 | 0.38832504 |
| 1.85871270 | 0.38801716 | 0.38818165 | 0.38808356 | 0.38656304 | 0.38536490 | 0.38518225 | 0.3852148188 | 0.38801716 |
| 1.86125190 | 0.38771154 | 0.38787668 | 0.38777916 | 0.38625919 | 0.38506728 | 0.38489188 | 0.3849268661 | 0.38771154 |
| 1.86379110 | 0.38740816 | 0.38757393 | 0.38747696 | 0.38595759 | 0.38477196 | 0.38460382 | 0.3846412256 | 0.38740816 |
| 1.86633040 | 0.38710698 | 0.38727337 | 0.38717695 | 0.38565820 | 0.38447890 | 0.38431804 | 0.3843578705 | 0.38710698 |
| 1.86886960 | 0.38680798 | 0.38697498 | 0.38687909 | 0.38536100 | 0.38418807 | 0.38403452 | 0.3840767740 | 0.38680798 |
| 1.87140880 | 0.38651113 | 0.38667873 | 0.38658336 | 0.38506596 | 0.38389946 | 0.38375323 | 0.3837979090 | 0.38651113 |
| 1.87394800 | 0.38621642 | 0.38638460 | 0.38628973 | 0.38477306 | 0.38361303 | 0.38347413 | 0.3835212484 | 0.38621641 |
| 1.87648730 | 0.38592380 | 0.38609255 | 0.38599818 | 0.38448227 | 0.38332875 | 0.38319722 | 0.3832467651 | 0.38592380 |
| 1.87902650 | 0.38563325 | 0.38580257 | 0.38570868 | 0.38419355 | 0.38304661 | 0.38292245 | 0.3829744317 | 0.38563325 |
| 1.88156570 | 0.38534475 | 0.38551462 | 0.38542119 | 0.38390690 | 0.38276656 | 0.38264980 | 0.3827042209 | 0.38534475 |
| 1.88410490 | 0.38505827 | 0.38522867 | 0.38513571 | 0.38362227 | 0.38248860 | 0.38237924 | 0.3824361051 | 0.38505827 |
| 1.88664420 | 0.38477377 | 0.38494471 | 0.38485218 | 0.38333964 | 0.38221267 | 0.38211075 | 0.3821700568 | 0.38477377 |
| 1.88918340 | 0.38449125 | 0.38466269 | 0.38457060 | 0.38305898 | 0.38193877 | 0.38184429 | 0.3819060482 | 0.38449125 |
| 1.89172260 | 0.38421065 | 0.38438261 | 0.38429093 | 0.38278027 | 0.38166686 | 0.38157985 | 0.3816440516 | 0.38421065 |
| 1.89426180 | 0.38393197 | 0.38410441 | 0.38401314 | 0.38250347 | 0.38139692 | 0.38131739 | 0.3813840391 | 0.38393197 |
| 1.89680110 | 0.38365517 | 0.38382809 | 0.38373721 | 0.38222857 | 0.38112891 | 0.38105688 | 0.3811259827 | 0.38365517 |
| 1.89934030 | 0.38338022 | 0.38355361 | 0.38346311 | 0.38195553 | 0.38086281 | 0.38079830 | 0.3808698543 | 0.38338022 |
| 1.90187950 | 0.38310710 | 0.38328094 | 0.38319082 | 0.38168432 | 0.38059859 | 0.38054161 | 0.3806156258 | 0.38310710 |
| 1.90441870 | 0.38283577 | 0.38301006 | 0.38292029 | 0.38141492 | 0.38033623 | 0.38028680 | 0.3803632689 | 0.38283577 |
| 1.90695800 | 0.38256622 | 0.38274094 | 0.38265151 | 0.38114729 | 0.38007569 | 0.38003382 | 0.3801127552 | 0.38256622 |
| 1.90949720 | 0.38229840 | 0.38247355 | 0.38238445 | 0.38088142 | 0.37981694 | 0.37978266 | 0.3798640564 | 0.38229840 |
| 1.91203640 | 0.38203230 | 0.38220786 | 0.38211908 | 0.38061727 | 0.37955996 | 0.37953329 | 0.3796171438 | 0.38203230 |
| 1.91457560 | 0.38176789 | 0.38194384 | 0.38185536 | 0.38035482 | 0.37930473 | 0.37928566 | 0.3793719889 | 0.38176788 |
| 1.91711490 | 0.38150513 | 0.38168147 | 0.38159328 | 0.38009403 | 0.37905120 | 0.37903977 | 0.3791285629 | 0.38150513 |
| 1.91965410 | 0.38124400 | 0.38142071 | 0.38133281 | 0.37983487 | 0.37879936 | 0.37879558 | 0.3788868371 | 0.38124400 |
| 1.92219330 | 0.38098447 | 0.38116154 | 0.38107391 | 0.37957733 | 0.37854916 | 0.37855305 | 0.3786467825 | 0.38098446 |
| 1.92473250 | 0.38072651 | 0.38090393 | 0.38081656 | 0.37932136 | 0.37830060 | 0.37831217 | 0.3784083703 | 0.38072651 |
| 1.92727180 | 0.38047009 | 0.38064786 | 0.38056073 | 0.37906695 | 0.37805363 | 0.37807289 | 0.3781715712 | 0.38047009 |
| 1.92981100 | 0.38021519 | 0.38039328 | 0.38030638 | 0.37881406 | 0.37780823 | 0.37783520 | 0.3779363564 | 0.38021519 |
| 1.93235020 | 0.37996177 | 0.38014018 | 0.38005350 | 0.37856267 | 0.37756436 | 0.37759907 | 0.3777026964 | 0.37996177 |
| 1.93488940 | 0.37970981 | 0.37988853 | 0.37980205 | 0.37831274 | 0.37732201 | 0.37736445 | 0.3774705620 | 0.37970981 |
| 1.93742870 | 0.37945927 | 0.37963828 | 0.37955201 | 0.37806424 | 0.37708113 | 0.37713133 | 0.3772399239 | 0.37945927 |
| 1.93996790 | 0.37921014 | 0.37938943 | 0.37930334 | 0.37781715 | 0.37684171 | 0.37689968 | 0.3770107525 | 0.37921014 |
| 1.94250710 | 0.37896237 | 0.37914193 | 0.37905601 | 0.37757144 | 0.37660371 | 0.37666946 | 0.3767830184 | 0.37896237 |
| 1.94504630 | 0.37871595 | 0.37889577 | 0.37881000 | 0.37732708 | 0.37636710 | 0.37644065 | 0.3765566920 | 0.37871594 |
| 1.94758560 | 0.37847083 | 0.37865090 | 0.37856528 | 0.37708404 | 0.37613185 | 0.37621322 | 0.3763317436 | 0.37847083 |
| 1.95012480 | 0.37822700 | 0.37840730 | 0.37832182 | 0.37684229 | 0.37589793 | 0.37598713 | 0.3761081433 | 0.37822700 |
| 1.95266400 | 0.37798441 | 0.37816494 | 0.37807958 | 0.37660180 | 0.37566532 | 0.37576237 | 0.3758858615 | 0.37798441 |
| 1.95520320 | 0.37774305 | 0.37792379 | 0.37783855 | 0.37636254 | 0.37543399 | 0.37553888 | 0.3756648682 | 0.37774305 |
| 1.95774250 | 0.37750289 | 0.37768383 | 0.37759868 | 0.37612449 | 0.37520389 | 0.37531666 | 0.3754451335 | 0.37750289 |
| 1.96028170 | 0.37726389 | 0.37744502 | 0.37735995 | 0.37588760 | 0.37497501 | 0.37509566 | 0.3752266273 | 0.37726388 |
| 1.96282090 | 0.37702602 | 0.37720732 | 0.37712233 | 0.37565186 | 0.37474732 | 0.37487587 | 0.3750093196 | 0.37702602 |
| 1.96536010 | 0.37678925 | 0.37697073 | 0.37688580 | 0.37541723 | 0.37452078 | 0.37465723 | 0.3747931801 | 0.37678925 |
| 1.96789940 | 0.37655356 | 0.37673519 | 0.37665031 | 0.37518369 | 0.37429537 | 0.37443974 | 0.3745781788 | 0.37655356 |
| 1.97043860 | 0.37631892 | 0.37650069 | 0.37641585 | 0.37495119 | 0.37407105 | 0.37422335 | 0.3743642852 | 0.37631892 |
| 1.97297780 | 0.37608529 | 0.37626719 | 0.37618238 | 0.37471973 | 0.37384779 | 0.37400804 | 0.3741514691 | 0.37608529 |
| 1.97551700 | 0.37585264 | 0.37603467 | 0.37594987 | 0.37448925 | 0.37362557 | 0.37379378 | 0.3739397000 | 0.37585264 |
| 1.97805630 | 0.37562095 | 0.37580308 | 0.37571829 | 0.37425974 | 0.37340435 | 0.37358053 | 0.3737289476 | 0.37562095 |
| 1.98059550 | 0.37539019 | 0.37557242 | 0.37548761 | 0.37403116 | 0.37318411 | 0.37336827 | 0.3735191812 | 0.37539019 |
| 1.98313470 | 0.37516032 | 0.37534263 | 0.37525780 | 0.37380349 | 0.37296481 | 0.37315697 | 0.3733103704 | 0.37516032 |
| 1.98567390 | 0.37493131 | 0.37511370 | 0.37502884 | 0.37357669 | 0.37274643 | 0.37294658 | 0.3731024846 | 0.37493131 |
| 1.98821320 | 0.37470314 | 0.37488559 | 0.37480069 | 0.37335073 | 0.37252892 | 0.37273710 | 0.3728954930 | 0.37470314 |
| 1.99075240 | 0.37447578 | 0.37465828 | 0.37457332 | 0.37312559 | 0.37231227 | 0.37252847 | 0.3726893650 | 0.37447578 |
| 1.99329160 | 0.37424919 | 0.37443173 | 0.37434670 | 0.37290123 | 0.37209645 | 0.37232068 | 0.3724840698 | 0.37424918 |
| 1.99583080 | 0.37402334 | 0.37420591 | 0.37412080 | 0.37267762 | 0.37188141 | 0.37211369 | 0.3722795766 | 0.37402334 |
| 1.99837010 | 0.37379820 | 0.37398079 | 0.37389559 | 0.37245474 | 0.37166714 | 0.37190747 | 0.3720758546 | 0.37379820 |
| 2.00090930 | 0.37357375 | 0.37375635 | 0.37367104 | 0.37223254 | 0.37145359 | 0.37170200 | 0.3718728729 | 0.37357375 |
| 2.00344850 | 0.37334996 | 0.37353255 | 0.37344712 | 0.37201101 | 0.37124075 | 0.37149723 | 0.3716706006 | 0.37334996 |
| 2.00598770 | 0.37312678 | 0.37330936 | 0.37322381 | 0.37179011 | 0.37102857 | 0.37129314 | 0.3714690068 | 0.37312678 |
| 2.00852700 | 0.37290420 | 0.37308675 | 0.37300106 | 0.37156981 | 0.37081704 | 0.37108970 | 0.3712680604 | 0.37290420 |
| 2.01106620 | 0.37268218 | 0.37286469 | 0.37277885 | 0.37135009 | 0.37060611 | 0.37088687 | 0.3710677304 | 0.37268218 |
| 2.01360540 | 0.37246069 | 0.37264315 | 0.37255715 | 0.37113090 | 0.37039575 | 0.37068463 | 0.3708679858 | 0.37246069 |
| 2.01614460 | 0.37223971 | 0.37242210 | 0.37233592 | 0.37091222 | 0.37018595 | 0.37048295 | 0.3706687955 | 0.37223970 |
| 2.01868390 | 0.37201919 | 0.37220151 | 0.37211515 | 0.37069402 | 0.36997666 | 0.37028179 | 0.3704701283 | 0.37201919 |
| 2.02122310 | 0.37179911 | 0.37198134 | 0.37189479 | 0.37047627 | 0.36976785 | 0.37008112 | 0.3702719533 | 0.37179911 |
| 2.02376230 | 0.37157944 | 0.37176158 | 0.37167482 | 0.37025893 | 0.36955950 | 0.36988091 | 0.3700742392 | 0.37157944 |
| 2.02630150 | 0.37136015 | 0.37154218 | 0.37145520 | 0.37004198 | 0.36935158 | 0.36968114 | 0.3698769548 | 0.37136015 |
| 2.02884080 | 0.37114121 | 0.37132312 | 0.37123591 | 0.36982539 | 0.36914404 | 0.36948176 | 0.3696800689 | 0.37114121 |
| 2.03138000 | 0.37092259 | 0.37110437 | 0.37101691 | 0.36960913 | 0.36893686 | 0.36928276 | 0.3694835504 | 0.37092259 |
| 2.03391920 | 0.37070425 | 0.37088589 | 0.37079818 | 0.36939316 | 0.36873002 | 0.36908408 | 0.3692873681 | 0.37070425 |
| 2.03645840 | 0.37048617 | 0.37066766 | 0.37057968 | 0.36917746 | 0.36852347 | 0.36888572 | 0.3690914906 | 0.37048617 |
| 2.03899770 | 0.37026832 | 0.37044964 | 0.37036139 | 0.36896199 | 0.36831720 | 0.36868763 | 0.3688958869 | 0.37026831 |
| 2.04153690 | 0.37005066 | 0.37023180 | 0.37014327 | 0.36874672 | 0.36811116 | 0.36848978 | 0.3687005255 | 0.37005066 |
| 2.04407610 | 0.36983316 | 0.37001412 | 0.36992529 | 0.36853163 | 0.36790533 | 0.36829215 | 0.3685053753 | 0.36983316 |
| 2.04661530 | 0.36961580 | 0.36979656 | 0.36970742 | 0.36831667 | 0.36769967 | 0.36809470 | 0.3683104051 | 0.36961580 |
| 2.04915460 | 0.36939854 | 0.36957909 | 0.36948963 | 0.36810184 | 0.36749416 | 0.36789740 | 0.3681155835 | 0.36939854 |
| 2.05169380 | 0.36918136 | 0.36936169 | 0.36927189 | 0.36788708 | 0.36728876 | 0.36770021 | 0.3679208794 | 0.36918136 |
| 2.05423300 | 0.36896421 | 0.36914432 | 0.36905418 | 0.36767237 | 0.36708345 | 0.36750312 | 0.3677262614 | 0.36896421 |
| 2.05677220 | 0.36874708 | 0.36892694 | 0.36883645 | 0.36745768 | 0.36687819 | 0.36730608 | 0.3675316984 | 0.36874708 |
| 2.05931150 | 0.36852993 | 0.36870954 | 0.36861868 | 0.36724298 | 0.36667295 | 0.36710907 | 0.3673371591 | 0.36852993 |
| 2.06185070 | 0.36831273 | 0.36849207 | 0.36840084 | 0.36702824 | 0.36646770 | 0.36691205 | 0.3671426124 | 0.36831273 |
| 2.06438990 | 0.36809545 | 0.36827452 | 0.36818290 | 0.36681343 | 0.36626241 | 0.36671499 | 0.3669480270 | 0.36809545 |
| 2.06692910 | 0.36787806 | 0.36805684 | 0.36796482 | 0.36659852 | 0.36605705 | 0.36651787 | 0.3667533717 | 0.36787806 |
| 2.06946840 | 0.36766053 | 0.36783901 | 0.36774659 | 0.36638347 | 0.36585158 | 0.36632065 | 0.3665586154 | 0.36766053 |
| 2.07200760 | 0.36744282 | 0.36762100 | 0.36752815 | 0.36616826 | 0.36564599 | 0.36612330 | 0.3663637270 | 0.36744282 |
| 2.07454680 | 0.36722492 | 0.36740277 | 0.36730950 | 0.36595285 | 0.36544023 | 0.36592578 | 0.3661686754 | 0.36722492 |
| 2.07708600 | 0.36700678 | 0.36718431 | 0.36709059 | 0.36573723 | 0.36523427 | 0.36572808 | 0.3659734294 | 0.36700678 |
| 2.07962530 | 0.36678838 | 0.36696557 | 0.36687140 | 0.36552135 | 0.36502809 | 0.36553015 | 0.3657779580 | 0.36678838 |
| 2.08216450 | 0.36656969 | 0.36674652 | 0.36665189 | 0.36530518 | 0.36482166 | 0.36533197 | 0.3655822302 | 0.36656969 |
| 2.08470370 | 0.36635067 | 0.36652714 | 0.36643204 | 0.36508870 | 0.36461494 | 0.36513350 | 0.3653862151 | 0.36635067 |
| 2.08724290 | 0.36613131 | 0.36630740 | 0.36621181 | 0.36487187 | 0.36440790 | 0.36493472 | 0.3651898816 | 0.36613130 |
| 2.08978220 | 0.36591155 | 0.36608726 | 0.36599118 | 0.36465467 | 0.36420052 | 0.36473559 | 0.3649931989 | 0.36591155 |
| 2.09232140 | 0.36569139 | 0.36586670 | 0.36577011 | 0.36443706 | 0.36399276 | 0.36453609 | 0.3647961362 | 0.36569139 |
| 2.09486060 | 0.36547078 | 0.36564568 | 0.36554858 | 0.36421902 | 0.36378459 | 0.36433618 | 0.3645986625 | 0.36547078 |
| 2.09739980 | 0.36524969 | 0.36542418 | 0.36532655 | 0.36400051 | 0.36357598 | 0.36413582 | 0.3644007472 | 0.36524969 |
| 2.09993910 | 0.36502811 | 0.36520217 | 0.36510400 | 0.36378151 | 0.36336690 | 0.36393500 | 0.3642023596 | 0.36502811 |
| 2.10247830 | 0.36480599 | 0.36497961 | 0.36488090 | 0.36356198 | 0.36315733 | 0.36373368 | 0.3640034689 | 0.36480599 |
| 2.10501750 | 0.36458330 | 0.36475647 | 0.36465721 | 0.36334189 | 0.36294722 | 0.36353183 | 0.3638040447 | 0.36458330 |
| 2.10755670 | 0.36436003 | 0.36453273 | 0.36443290 | 0.36312122 | 0.36273656 | 0.36332942 | 0.3636040563 | 0.36436003 |
| 2.11009600 | 0.36413613 | 0.36430836 | 0.36420795 | 0.36289994 | 0.36252530 | 0.36312642 | 0.3634034733 | 0.36413613 |
| 2.11263520 | 0.36391158 | 0.36408333 | 0.36398233 | 0.36267801 | 0.36231343 | 0.36292279 | 0.3632022653 | 0.36391157 |
| 2.11517440 | 0.36368634 | 0.36385760 | 0.36375601 | 0.36245540 | 0.36210090 | 0.36271852 | 0.3630004020 | 0.36368634 |
| 2.11771360 | 0.36346040 | 0.36363115 | 0.36352895 | 0.36223210 | 0.36188770 | 0.36251356 | 0.3627978531 | 0.36346040 |
| 2.12025290 | 0.36323371 | 0.36340395 | 0.36330113 | 0.36200806 | 0.36167379 | 0.36230789 | 0.3625945883 | 0.36323371 |
| 2.12279210 | 0.36300625 | 0.36317597 | 0.36307252 | 0.36178326 | 0.36145914 | 0.36210148 | 0.3623905777 | 0.36300625 |
| 2.12533130 | 0.36277800 | 0.36294718 | 0.36284309 | 0.36155766 | 0.36124372 | 0.36189429 | 0.3621857912 | 0.36277800 |
| 2.12787050 | 0.36254891 | 0.36271755 | 0.36261282 | 0.36133125 | 0.36102751 | 0.36168631 | 0.3619801987 | 0.36254891 |
| 2.13040980 | 0.36231897 | 0.36248705 | 0.36238166 | 0.36110398 | 0.36081046 | 0.36147749 | 0.3617737706 | 0.36231897 |
| 2.13294900 | 0.36208814 | 0.36225566 | 0.36214960 | 0.36087584 | 0.36059256 | 0.36126781 | 0.3615664770 | 0.36208814 |
| 2.13548820 | 0.36185640 | 0.36202334 | 0.36191660 | 0.36064679 | 0.36037377 | 0.36105725 | 0.3613582881 | 0.36185640 |
| 2.13802740 | 0.36162371 | 0.36179006 | 0.36168264 | 0.36041680 | 0.36015407 | 0.36084576 | 0.3611491746 | 0.36162371 |
| 2.14056670 | 0.36139005 | 0.36155580 | 0.36144768 | 0.36018585 | 0.35993343 | 0.36063332 | 0.3609391068 | 0.36139005 |
| 2.14310590 | 0.36115539 | 0.36132053 | 0.36121171 | 0.35995391 | 0.35971181 | 0.36041990 | 0.3607280554 | 0.36115539 |
| 2.14564510 | 0.36091970 | 0.36108422 | 0.36097468 | 0.35972094 | 0.35948919 | 0.36020548 | 0.3605159911 | 0.36091970 |
| 2.14818430 | 0.36068295 | 0.36084684 | 0.36073658 | 0.35948692 | 0.35926553 | 0.35999001 | 0.3603028847 | 0.36068295 |
| 2.15072360 | 0.36044512 | 0.36060837 | 0.36049737 | 0.35925182 | 0.35904082 | 0.35977348 | 0.3600887073 | 0.36044511 |
| 2.15326280 | 0.36020616 | 0.36036877 | 0.36025702 | 0.35901562 | 0.35881502 | 0.35955586 | 0.3598734298 | 0.36020616 |
| 2.15580200 | 0.35996607 | 0.36012802 | 0.36001552 | 0.35877828 | 0.35858811 | 0.35933711 | 0.3596570234 | 0.35996607 |
| 2.15834120 | 0.35972481 | 0.35988608 | 0.35977282 | 0.35853978 | 0.35836005 | 0.35911721 | 0.3594394594 | 0.35972481 |
| 2.16088050 | 0.35948235 | 0.35964294 | 0.35952891 | 0.35830009 | 0.35813081 | 0.35889613 | 0.3592207092 | 0.35948235 |
| 2.16341970 | 0.35923866 | 0.35939857 | 0.35928375 | 0.35805918 | 0.35790038 | 0.35867384 | 0.3590007444 | 0.35923866 |
| 2.16595890 | 0.35899372 | 0.35915293 | 0.35903732 | 0.35781702 | 0.35766872 | 0.35845032 | 0.3587795367 | 0.35899372 |
| 2.16849810 | 0.35874751 | 0.35890600 | 0.35878959 | 0.35757360 | 0.35743580 | 0.35822552 | 0.3585570577 | 0.35874750 |
| 2.17103740 | 0.35849998 | 0.35865775 | 0.35854054 | 0.35732887 | 0.35720159 | 0.35799944 | 0.3583332796 | 0.35849998 |
| 2.17357660 | 0.35825112 | 0.35840816 | 0.35829013 | 0.35708281 | 0.35696608 | 0.35777203 | 0.3581081743 | 0.35825112 |
| 2.17611580 | 0.35800090 | 0.35815720 | 0.35803834 | 0.35683540 | 0.35672922 | 0.35754327 | 0.3578817140 | 0.35800089 |
| 2.17865500 | 0.35774928 | 0.35790484 | 0.35778514 | 0.35658661 | 0.35649100 | 0.35731314 | 0.3576538712 | 0.35774928 |
| 2.18119430 | 0.35749626 | 0.35765105 | 0.35753051 | 0.35633642 | 0.35625139 | 0.35708160 | 0.3574246182 | 0.35749626 |
| 2.18373350 | 0.35724179 | 0.35739581 | 0.35727442 | 0.35608478 | 0.35601035 | 0.35684863 | 0.3571939279 | 0.35724179 |
| 2.18627270 | 0.35698586 | 0.35713910 | 0.35701685 | 0.35583169 | 0.35576787 | 0.35661421 | 0.3569617729 | 0.35698586 |
| 2.18881190 | 0.35672843 | 0.35688088 | 0.35675776 | 0.35557711 | 0.35552392 | 0.35637829 | 0.3567281262 | 0.35672843 |
| 2.19135120 | 0.35646948 | 0.35662114 | 0.35649714 | 0.35532102 | 0.35527846 | 0.35614087 | 0.3564929610 | 0.35646948 |
| 2.19389040 | 0.35620899 | 0.35635984 | 0.35623495 | 0.35506339 | 0.35503148 | 0.35590191 | 0.3562562506 | 0.35620899 |
| 2.19642960 | 0.35594692 | 0.35609695 | 0.35597117 | 0.35480420 | 0.35478295 | 0.35566138 | 0.3560179683 | 0.35594692 |
| 2.19896880 | 0.35568326 | 0.35583246 | 0.35570578 | 0.35454341 | 0.35453284 | 0.35541926 | 0.3557780878 | 0.35568326 |
| 2.20150810 | 0.35541798 | 0.35556634 | 0.35543874 | 0.35428101 | 0.35428112 | 0.35517552 | 0.3555365828 | 0.35541798 |
| 2.20404730 | 0.35515105 | 0.35529857 | 0.35517005 | 0.35401698 | 0.35402778 | 0.35493014 | 0.3552934274 | 0.35515105 |
| 2.20658650 | 0.35488245 | 0.35502911 | 0.35489966 | 0.35375127 | 0.35377278 | 0.35468309 | 0.3550485957 | 0.35488245 |
| 2.20912570 | 0.35461215 | 0.35475795 | 0.35462756 | 0.35348388 | 0.35351609 | 0.35443435 | 0.3548020619 | 0.35461215 |
| 2.21166500 | 0.35434013 | 0.35448505 | 0.35435372 | 0.35321477 | 0.35325771 | 0.35418388 | 0.3545538007 | 0.35434013 |
| 2.21420420 | 0.35406637 | 0.35421040 | 0.35407812 | 0.35294392 | 0.35299759 | 0.35393167 | 0.3543037865 | 0.35406637 |
| 2.21674340 | 0.35379083 | 0.35393397 | 0.35380073 | 0.35267131 | 0.35273572 | 0.35367769 | 0.3540519944 | 0.35379083 |
| 2.21928260 | 0.35351350 | 0.35365574 | 0.35352153 | 0.35239692 | 0.35247207 | 0.35342192 | 0.3537983994 | 0.35351350 |
| 2.22182190 | 0.35323436 | 0.35337568 | 0.35324049 | 0.35212071 | 0.35220661 | 0.35316432 | 0.3535429767 | 0.35323435 |
| 2.22436110 | 0.35295337 | 0.35309377 | 0.35295760 | 0.35184266 | 0.35193933 | 0.35290488 | 0.3532857018 | 0.35295337 |
| 2.22690030 | 0.35267051 | 0.35280999 | 0.35267283 | 0.35156276 | 0.35167019 | 0.35264357 | 0.3530265503 | 0.35267051 |
| 2.22943950 | 0.35238577 | 0.35252431 | 0.35238615 | 0.35128098 | 0.35139918 | 0.35238037 | 0.3527654981 | 0.35238577 |
| 2.23197880 | 0.35209912 | 0.35223671 | 0.35209754 | 0.35099729 | 0.35112627 | 0.35211525 | 0.3525025212 | 0.35209912 |
| 2.23451800 | 0.35181054 | 0.35194717 | 0.35180699 | 0.35071168 | 0.35085144 | 0.35184819 | 0.3522375960 | 0.35181054 |
| 2.23705720 | 0.35151999 | 0.35165566 | 0.35151446 | 0.35042411 | 0.35057466 | 0.35157917 | 0.3519706988 | 0.35151999 |
| 2.23959640 | 0.35122747 | 0.35136217 | 0.35121993 | 0.35013458 | 0.35029592 | 0.35130816 | 0.3517018064 | 0.35122747 |
| 2.24213570 | 0.35093295 | 0.35106666 | 0.35092339 | 0.34984305 | 0.35001518 | 0.35103514 | 0.3514308957 | 0.35093295 |
| 2.24467490 | 0.35063641 | 0.35076913 | 0.35062482 | 0.34954950 | 0.34973243 | 0.35076008 | 0.3511579438 | 0.35063641 |
| 2.24721410 | 0.35033782 | 0.35046954 | 0.35032418 | 0.34925391 | 0.34944764 | 0.35048298 | 0.3508829280 | 0.35033782 |
| 2.24975330 | 0.35003717 | 0.35016788 | 0.35002146 | 0.34895627 | 0.34916080 | 0.35020379 | 0.3506058260 | 0.35003716 |
| 2.25229260 | 0.34973443 | 0.34986412 | 0.34971663 | 0.34865654 | 0.34887187 | 0.34992250 | 0.3503266155 | 0.34973442 |
| 2.25483180 | 0.34942958 | 0.34955824 | 0.34940969 | 0.34835471 | 0.34858085 | 0.34963910 | 0.3500452745 | 0.34942957 |
| 2.25737100 | 0.34912260 | 0.34925023 | 0.34910060 | 0.34805076 | 0.34828770 | 0.34935355 | 0.3497617814 | 0.34912260 |
| 2.25991020 | 0.34881347 | 0.34894006 | 0.34878934 | 0.34774467 | 0.34799241 | 0.34906583 | 0.3494761145 | 0.34881347 |
| 2.26244950 | 0.34850217 | 0.34862771 | 0.34847590 | 0.34743641 | 0.34769496 | 0.34877593 | 0.3491882528 | 0.34850217 |
| 2.26498870 | 0.34818868 | 0.34831316 | 0.34816026 | 0.34712596 | 0.34739532 | 0.34848383 | 0.3488981750 | 0.34818868 |
| 2.26752790 | 0.34787299 | 0.34799640 | 0.34784239 | 0.34681332 | 0.34709348 | 0.34818949 | 0.3486058605 | 0.34787298 |
| 2.27006710 | 0.34755506 | 0.34767739 | 0.34752228 | 0.34649845 | 0.34678941 | 0.34789291 | 0.3483112886 | 0.34755506 |
| 2.27260640 | 0.34723488 | 0.34735614 | 0.34719990 | 0.34618133 | 0.34648310 | 0.34759406 | 0.3480144392 | 0.34723488 |
| 2.27514560 | 0.34691244 | 0.34703260 | 0.34687525 | 0.34586196 | 0.34617452 | 0.34729292 | 0.3477152922 | 0.34691244 |
| 2.27768480 | 0.34658771 | 0.34670677 | 0.34654829 | 0.34554030 | 0.34586366 | 0.34698947 | 0.3474138278 | 0.34658771 |
| 2.28022400 | 0.34626068 | 0.34637863 | 0.34621901 | 0.34521635 | 0.34555049 | 0.34668370 | 0.3471100264 | 0.34626068 |
| 2.28276330 | 0.34593132 | 0.34604816 | 0.34588740 | 0.34489008 | 0.34523500 | 0.34637558 | 0.3468038688 | 0.34593132 |
| 2.28530250 | 0.34559962 | 0.34571533 | 0.34555343 | 0.34456147 | 0.34491717 | 0.34606509 | 0.3464953360 | 0.34559962 |
| 2.28784170 | 0.34526556 | 0.34538014 | 0.34521709 | 0.34423050 | 0.34459699 | 0.34575222 | 0.3461844092 | 0.34526556 |
| 2.29038090 | 0.34492913 | 0.34504257 | 0.34487836 | 0.34389717 | 0.34427442 | 0.34543695 | 0.3458710700 | 0.34492912 |
| 2.29292020 | 0.34459030 | 0.34470260 | 0.34453722 | 0.34356145 | 0.34394947 | 0.34511926 | 0.3455553001 | 0.34459030 |
| 2.29545940 | 0.34424906 | 0.34436020 | 0.34419366 | 0.34322332 | 0.34362210 | 0.34479913 | 0.3452370816 | 0.34424906 |
| 2.29799860 | 0.34390539 | 0.34401537 | 0.34384766 | 0.34288277 | 0.34329230 | 0.34447654 | 0.3449163967 | 0.34390539 |
| 2.30053780 | 0.34355928 | 0.34366809 | 0.34349920 | 0.34253978 | 0.34296005 | 0.34415148 | 0.3445932282 | 0.34355928 |
| 2.30307710 | 0.34321070 | 0.34331835 | 0.34314826 | 0.34219434 | 0.34262534 | 0.34382394 | 0.3442675588 | 0.34321070 |
| 2.30561630 | 0.34285966 | 0.34296611 | 0.34279484 | 0.34184642 | 0.34228815 | 0.34349388 | 0.3439393717 | 0.34285965 |
| 2.30815550 | 0.34250612 | 0.34261138 | 0.34243892 | 0.34149602 | 0.34194847 | 0.34316130 | 0.3436086504 | 0.34250611 |
| 2.31069470 | 0.34215007 | 0.34225414 | 0.34208047 | 0.34114311 | 0.34160627 | 0.34282618 | 0.3432753785 | 0.34215007 |
| 2.31323400 | 0.34179150 | 0.34189437 | 0.34171950 | 0.34078769 | 0.34126154 | 0.34248850 | 0.3429395401 | 0.34179150 |
| 2.31577320 | 0.34143039 | 0.34153205 | 0.34135597 | 0.34042974 | 0.34091428 | 0.34214825 | 0.3426011194 | 0.34143039 |
| 2.31831240 | 0.34106673 | 0.34116717 | 0.34098988 | 0.34006924 | 0.34056445 | 0.34180542 | 0.3422601010 | 0.34106673 |
| 2.32085160 | 0.34070051 | 0.34079972 | 0.34062121 | 0.33970618 | 0.34021206 | 0.34145999 | 0.3419164698 | 0.34070051 |
| 2.32339090 | 0.34033171 | 0.34042969 | 0.34024995 | 0.33934054 | 0.33985708 | 0.34111193 | 0.3415702108 | 0.34033170 |
| 2.32593010 | 0.33996031 | 0.34005706 | 0.33987609 | 0.33897232 | 0.33949949 | 0.34076125 | 0.3412213096 | 0.33996031 |
| 2.32846930 | 0.33958631 | 0.33968181 | 0.33949961 | 0.33860149 | 0.33913929 | 0.34040792 | 0.3408697519 | 0.33958630 |
| 2.33100850 | 0.33920968 | 0.33930393 | 0.33912050 | 0.33822805 | 0.33877647 | 0.34005194 | 0.3405155237 | 0.33920968 |
| 2.33354780 | 0.33883043 | 0.33892342 | 0.33873875 | 0.33785198 | 0.33841100 | 0.33969328 | 0.3401586113 | 0.33883043 |
| 2.33608700 | 0.33844853 | 0.33854026 | 0.33835434 | 0.33747327 | 0.33804287 | 0.33933193 | 0.3397990015 | 0.33844853 |
| 2.33862620 | 0.33806397 | 0.33815443 | 0.33796727 | 0.33709191 | 0.33767208 | 0.33896789 | 0.3394366810 | 0.33806397 |
| 2.34116540 | 0.33767675 | 0.33776593 | 0.33757751 | 0.33670788 | 0.33729861 | 0.33860113 | 0.3390716373 | 0.33767675 |
| 2.34370470 | 0.33728684 | 0.33737474 | 0.33718507 | 0.33632118 | 0.33692245 | 0.33823165 | 0.3387038577 | 0.33728684 |
| 2.34624390 | 0.33689425 | 0.33698086 | 0.33678993 | 0.33593179 | 0.33654359 | 0.33785943 | 0.3383333301 | 0.33689425 |
| 2.34878310 | 0.33649895 | 0.33658427 | 0.33639207 | 0.33553971 | 0.33616201 | 0.33748447 | 0.3379600428 | 0.33649895 |
| 2.35132230 | 0.33610094 | 0.33618496 | 0.33599149 | 0.33514491 | 0.33577770 | 0.33710675 | 0.3375839842 | 0.33610093 |
| 2.35386160 | 0.33570020 | 0.33578291 | 0.33558818 | 0.33474740 | 0.33539066 | 0.33672625 | 0.3372051430 | 0.33570020 |
| 2.35640080 | 0.33529673 | 0.33537813 | 0.33518213 | 0.33434715 | 0.33500087 | 0.33634298 | 0.3368235084 | 0.33529673 |
| 2.35894000 | 0.33489052 | 0.33497061 | 0.33477332 | 0.33394417 | 0.33460832 | 0.33595691 | 0.3364390697 | 0.33489052 |
| 2.36147920 | 0.33448156 | 0.33456032 | 0.33436176 | 0.33353844 | 0.33421300 | 0.33556804 | 0.3360518168 | 0.33448156 |
| 2.36401850 | 0.33406984 | 0.33414727 | 0.33394742 | 0.33312995 | 0.33381491 | 0.33517636 | 0.3356617395 | 0.33406984 |
| 2.36655770 | 0.33365534 | 0.33373144 | 0.33353031 | 0.33271870 | 0.33341403 | 0.33478186 | 0.3352688283 | 0.33365534 |
| 2.36909690 | 0.33323807 | 0.33331283 | 0.33311041 | 0.33230467 | 0.33301035 | 0.33438453 | 0.3348730738 | 0.33323807 |
| 2.37163610 | 0.33281801 | 0.33289143 | 0.33268771 | 0.33188786 | 0.33260387 | 0.33398436 | 0.3344744670 | 0.33281801 |
| 2.37417540 | 0.33239516 | 0.33246722 | 0.33226222 | 0.33146825 | 0.33219458 | 0.33358134 | 0.3340729993 | 0.33239516 |
| 2.37671460 | 0.33196950 | 0.33204021 | 0.33183391 | 0.33104585 | 0.33178247 | 0.33317546 | 0.3336686622 | 0.33196950 |
| 2.37925380 | 0.33154104 | 0.33161039 | 0.33140279 | 0.33062065 | 0.33136753 | 0.33276672 | 0.3332614478 | 0.33154104 |
| 2.38179300 | 0.33110976 | 0.33117775 | 0.33096884 | 0.33019263 | 0.33094975 | 0.33235511 | 0.3328513483 | 0.33110976 |
| 2.38433230 | 0.33067566 | 0.33074227 | 0.33053207 | 0.32976179 | 0.33052914 | 0.33194061 | 0.3324383562 | 0.33067566 |
| 2.38687150 | 0.33023873 | 0.33030397 | 0.33009246 | 0.32932813 | 0.33010567 | 0.33152323 | 0.3320224646 | 0.33023873 |
| 2.38941070 | 0.32979896 | 0.32986283 | 0.32965001 | 0.32889163 | 0.32967935 | 0.33110296 | 0.3316036667 | 0.32979896 |
| 2.39194990 | 0.32935636 | 0.32941884 | 0.32920471 | 0.32845230 | 0.32925016 | 0.33067979 | 0.3311819560 | 0.32935636 |
| 2.39448920 | 0.32891091 | 0.32897200 | 0.32875656 | 0.32801013 | 0.32881811 | 0.33025371 | 0.3307573265 | 0.32891091 |
| 2.39702840 | 0.32846261 | 0.32852231 | 0.32830556 | 0.32756511 | 0.32838318 | 0.32982472 | 0.3303297724 | 0.32846261 |
| 2.39956760 | 0.32801145 | 0.32806976 | 0.32785169 | 0.32711724 | 0.32794538 | 0.32939281 | 0.3298992883 | 0.32801145 |
| 2.40210680 | 0.32755744 | 0.32761434 | 0.32739496 | 0.32666651 | 0.32750469 | 0.32895799 | 0.3294658690 | 0.32755744 |
| 2.40464610 | 0.32710056 | 0.32715606 | 0.32693536 | 0.32621292 | 0.32706112 | 0.32852023 | 0.3290295098 | 0.32710056 |
| 2.40718530 | 0.32664082 | 0.32669491 | 0.32647289 | 0.32575647 | 0.32661465 | 0.32807955 | 0.3285902062 | 0.32664082 |
| 2.40972450 | 0.32617821 | 0.32623088 | 0.32600755 | 0.32529715 | 0.32616529 | 0.32763593 | 0.3281479541 | 0.32617821 |
| 2.41226370 | 0.32571272 | 0.32576398 | 0.32553932 | 0.32483496 | 0.32571303 | 0.32718937 | 0.3277027498 | 0.32571272 |
| 2.41480300 | 0.32524436 | 0.32529420 | 0.32506822 | 0.32436990 | 0.32525787 | 0.32673987 | 0.3272545897 | 0.32524436 |
| 2.41734220 | 0.32477312 | 0.32482154 | 0.32459424 | 0.32390197 | 0.32479981 | 0.32628742 | 0.3268034707 | 0.32477312 |
| 2.41988140 | 0.32429901 | 0.32434599 | 0.32411737 | 0.32343115 | 0.32433883 | 0.32583203 | 0.3263493900 | 0.32429900 |
| 2.42242060 | 0.32382201 | 0.32386756 | 0.32363761 | 0.32295746 | 0.32387495 | 0.32537368 | 0.3258923453 | 0.32382201 |
| 2.42495990 | 0.32334213 | 0.32338625 | 0.32315497 | 0.32248089 | 0.32340815 | 0.32491239 | 0.3254323343 | 0.32334212 |
| 2.42749910 | 0.32285936 | 0.32290205 | 0.32266944 | 0.32200144 | 0.32293845 | 0.32444814 | 0.3249693552 | 0.32285936 |
| 2.43003830 | 0.32237371 | 0.32241496 | 0.32218103 | 0.32151910 | 0.32246583 | 0.32398093 | 0.3245034066 | 0.32237371 |
| 2.43257750 | 0.32188518 | 0.32192498 | 0.32168972 | 0.32103388 | 0.32199029 | 0.32351077 | 0.3240344873 | 0.32188518 |
| 2.43511680 | 0.32139376 | 0.32143211 | 0.32119553 | 0.32054578 | 0.32151184 | 0.32303765 | 0.3235625966 | 0.32139376 |
| 2.43765600 | 0.32089946 | 0.32093636 | 0.32069845 | 0.32005480 | 0.32103047 | 0.32256157 | 0.3230877339 | 0.32089946 |
| 2.44019520 | 0.32040227 | 0.32043772 | 0.32019849 | 0.31956093 | 0.32054619 | 0.32208253 | 0.3226098992 | 0.32040227 |
| 2.44273440 | 0.31990220 | 0.31993620 | 0.31969564 | 0.31906419 | 0.32005899 | 0.32160054 | 0.3221290925 | 0.31990220 |
| 2.44527370 | 0.31939925 | 0.31943179 | 0.31918990 | 0.31856456 | 0.31956888 | 0.32111559 | 0.3216453145 | 0.31939925 |
| 2.44781290 | 0.31889342 | 0.31892450 | 0.31868129 | 0.31806206 | 0.31907586 | 0.32062768 | 0.3211585660 | 0.31889342 |
| 2.45035210 | 0.31838472 | 0.31841432 | 0.31816979 | 0.31755668 | 0.31857992 | 0.32013682 | 0.3206688481 | 0.31838471 |
| 2.45289130 | 0.31787313 | 0.31790128 | 0.31765542 | 0.31704843 | 0.31808107 | 0.31964300 | 0.3201761624 | 0.31787313 |
| 2.45543060 | 0.31735868 | 0.31738535 | 0.31713817 | 0.31653730 | 0.31757932 | 0.31914624 | 0.3196805107 | 0.31735867 |
| 2.45796980 | 0.31684135 | 0.31686655 | 0.31661805 | 0.31602331 | 0.31707466 | 0.31864652 | 0.3191818952 | 0.31684135 |
| 2.46050900 | 0.31632116 | 0.31634489 | 0.31609506 | 0.31550645 | 0.31656710 | 0.31814386 | 0.3186803184 | 0.31632115 |
| 2.46304820 | 0.31579810 | 0.31582036 | 0.31556921 | 0.31498672 | 0.31605664 | 0.31763825 | 0.3181757831 | 0.31579810 |
| 2.46558750 | 0.31527218 | 0.31529296 | 0.31504049 | 0.31446415 | 0.31554328 | 0.31712970 | 0.3176682925 | 0.31527218 |
| 2.46812670 | 0.31474341 | 0.31476271 | 0.31450892 | 0.31393871 | 0.31502703 | 0.31661822 | 0.3171578499 | 0.31474341 |
| 2.47066590 | 0.31421179 | 0.31422961 | 0.31397450 | 0.31341043 | 0.31450789 | 0.31610380 | 0.3166444594 | 0.31421179 |
| 2.47320510 | 0.31367732 | 0.31369366 | 0.31343724 | 0.31287930 | 0.31398587 | 0.31558645 | 0.3161281249 | 0.31367732 |
| 2.47574440 | 0.31314001 | 0.31315487 | 0.31289713 | 0.31234533 | 0.31346096 | 0.31506618 | 0.3156088510 | 0.31314001 |
| 2.47828360 | 0.31259987 | 0.31261324 | 0.31235419 | 0.31180853 | 0.31293319 | 0.31454299 | 0.3150866423 | 0.31259986 |
| 2.48082280 | 0.31205689 | 0.31206878 | 0.31180842 | 0.31126889 | 0.31240254 | 0.31401688 | 0.3145615041 | 0.31205689 |
| 2.48336200 | 0.31151109 | 0.31152149 | 0.31125982 | 0.31072644 | 0.31186903 | 0.31348786 | 0.3140334417 | 0.31151109 |
| 2.48590130 | 0.31096248 | 0.31097139 | 0.31070841 | 0.31018117 | 0.31133266 | 0.31295594 | 0.3135024609 | 0.31096248 |
| 2.48844050 | 0.31041105 | 0.31041847 | 0.31015419 | 0.30963309 | 0.31079344 | 0.31242112 | 0.3129685677 | 0.31041105 |
| 2.49097970 | 0.30985683 | 0.30986276 | 0.30959717 | 0.30908220 | 0.31025138 | 0.31188342 | 0.3124317685 | 0.30985682 |
| 2.49351890 | 0.30929980 | 0.30930424 | 0.30903735 | 0.30852852 | 0.30970647 | 0.31134282 | 0.3118920700 | 0.30929980 |
| 2.49605820 | 0.30873999 | 0.30874293 | 0.30847475 | 0.30797205 | 0.30915874 | 0.31079935 | 0.3113494793 | 0.30873999 |
| 2.49859740 | 0.30817739 | 0.30817885 | 0.30790936 | 0.30741280 | 0.30860818 | 0.31025301 | 0.3108040036 | 0.30817739 |
| 2.50113660 | 0.30761203 | 0.30761199 | 0.30734121 | 0.30685078 | 0.30805481 | 0.30970381 | 0.3102556506 | 0.30761203 |
| 2.50367580 | 0.30704390 | 0.30704236 | 0.30677029 | 0.30628600 | 0.30749863 | 0.30915175 | 0.3097044283 | 0.30704390 |
| 2.50621510 | 0.30647301 | 0.30646998 | 0.30619663 | 0.30571846 | 0.30693965 | 0.30859685 | 0.3091503449 | 0.30647301 |
| 2.50875430 | 0.30589938 | 0.30589486 | 0.30562022 | 0.30514818 | 0.30637788 | 0.30803910 | 0.3085934089 | 0.30589938 |
| 2.51129350 | 0.30532302 | 0.30531700 | 0.30504107 | 0.30457516 | 0.30581333 | 0.30747853 | 0.3080336294 | 0.30532301 |
| 2.51383270 | 0.30474392 | 0.30473641 | 0.30445920 | 0.30399941 | 0.30524601 | 0.30691514 | 0.3074710154 | 0.30474392 |
| 2.51637200 | 0.30416211 | 0.30415311 | 0.30387462 | 0.30342094 | 0.30467593 | 0.30634895 | 0.3069055764 | 0.30416211 |
| 2.51891120 | 0.30357760 | 0.30356709 | 0.30328734 | 0.30283977 | 0.30410309 | 0.30577995 | 0.3063373223 | 0.30357760 |
| 2.52145040 | 0.30299039 | 0.30297839 | 0.30269736 | 0.30225591 | 0.30352751 | 0.30520816 | 0.3057662631 | 0.30299038 |
| 2.52398960 | 0.30240049 | 0.30238700 | 0.30210470 | 0.30166935 | 0.30294920 | 0.30463359 | 0.3051924093 | 0.30240049 |
| 2.52652890 | 0.30180792 | 0.30179294 | 0.30150938 | 0.30108013 | 0.30236817 | 0.30405625 | 0.3046157715 | 0.30180792 |
| 2.52906810 | 0.30121269 | 0.30119621 | 0.30091139 | 0.30048824 | 0.30178443 | 0.30347615 | 0.3040363607 | 0.30121269 |
| 2.53160730 | 0.30061481 | 0.30059684 | 0.30031077 | 0.29989370 | 0.30119799 | 0.30289331 | 0.3034541883 | 0.30061481 |
| 2.53414650 | 0.30001429 | 0.29999483 | 0.29970750 | 0.29929653 | 0.30060886 | 0.30230773 | 0.3028692657 | 0.30001429 |
| 2.53668580 | 0.29941115 | 0.29939019 | 0.29910162 | 0.29869672 | 0.30001706 | 0.30171943 | 0.3022816050 | 0.29941115 |
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R* :var tmp_data=tab-density
breaks <- c("0.00", "0.25", "0.50", "1.00", "2.00", "5.00", "$\\infty$", "Jastrow")
data.0 <- data.frame(mu=breaks[1], x=tmp_data$R, n=tmp_data$X0.0)
data.0.25 <- data.frame(mu=breaks[2], x=tmp_data$R, n=tmp_data$X0.25)
data.0.5 <- data.frame(mu=breaks[3], x=tmp_data$R, n=tmp_data$X0.5)
data.1.0 <- data.frame(mu=breaks[4], x=tmp_data$R, n=tmp_data$X1.0)
data.2.0 <- data.frame(mu=breaks[5], x=tmp_data$R, n=tmp_data$X2.0)
data.5.0 <- data.frame(mu=breaks[6], x=tmp_data$R, n=tmp_data$X5.0)
data.inf <- data.frame(mu=breaks[7], x=tmp_data$R, n=tmp_data$Inf.)
data.J <- data.frame(mu=breaks[8], x=tmp_data$R, n=tmp_data$Jastrow)
data <- rbind(data.0, data.0.25, data.0.5, data.1.0, data.inf)
labels= TeX(breaks)
p <- ggplot(data, aes(x=x, y=n, col=mu))
p <- p + geom_line(lwd=1.5)
p <- p + geom_line(data=data.J, lwd=1, col=1, linetype="dashed")
p <- p + scale_colour_discrete(name = TeX("$\\mu$"), breaks = breaks,
labels = labels)
p <- p + scale_x_continuous(name=TeX("$r_{O-H}$ (bohr)"))
p <- p + scale_y_continuous(name = "Density (a.u.)")
p <- p + theme(text = element_text(size = 20, family="Times"), legend.position=c(.85,.75), legend.text.align = 0)
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figureTWprCC.png]]
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/density-mu.pdf", family="Times", width=8, height=5)
p
dev.off()
#+end_src
** Optimal mu
Find the optimal $\mu$ in VDZ-BFD for each molecule and atom, making
a spline interpolation of the total energy wrt $\mu$.
#+begin_src R :results output :exports both :session *R*
rows <- list()
j <- 0
for (mol in levels(ref$"Molecule") )
{
data <- subset(raw_data, (Method == "DMC" & Basis == "VDZ-BFD" & Molecule == mol & Mu != "opt"))
data$"Mu" <- as.numeric(levels(factor(data$"Mu")))
vdz <- data["Mu"]
vdz$"X" <- data$"Mu"/(data$"Mu"+1.)
vdz$"E" <- data$"TotalEnergy"
vdz$"E.lo" <- data$"TotalEnergy" - data$"TotalEnergyErr"
vdz$"E.hi" <- data$"TotalEnergy" + data$"TotalEnergyErr"
vdz$"Basis" <- "DZ"
vdz$"X"[7] <- 1.
vdz$"Mu"[7] <- TeX("$\\infty$")
vdz.spline_int <- as.data.frame(spline(vdz$"X", vdz$"E", n=101))
vdz.spline_int_lo <- as.data.frame(spline(vdz$"X", vdz$"E.lo", n=101))
vdz.spline_int_hi <- as.data.frame(spline(vdz$"X", vdz$"E.hi", n=101))
Emin = min(vdz.spline_int)
i <- which(vdz.spline_int$y == Emin)
x <- vdz.spline_int$x[i]
Eerr <- (vdz.spline_int_hi$y - vdz.spline_int_lo$y)[i]
mu <- x / (1-x)
dat <- data.frame("Molecule"=mol, "Mu"=mu, "TotalEnergy"=Emin, "TotalEnergyErr"=Eerr)
j <- j + 1
rows[[j]] <- dat
}
mu_opt = do.call(rbind, rows)
mu_opt
#+end_src
#+RESULTS:
#+begin_example
Molecule Mu TotalEnergy TotalEnergyErr
1 Be 0.9607843 -1.0079614 2.173233e-05
2 BeH 0.5625000 -1.5805161 4.068057e-04
3 C 2.8461538 -5.4320135 2.059806e-04
4 C2H2 2.1250000 -12.4978013 1.693722e-03
5 C2H4 2.0303030 -13.7496647 3.523223e-03
6 C2H6 2.0303030 -14.9862617 3.724296e-03
7 CH 2.1250000 -6.0641416 4.574218e-04
8 CH2_1A1 3.3478261 -6.7168953 1.009787e-03
9 CH2_3B1 3.1666667 -6.7315432 8.764694e-04
10 CH3 1.2727273 -7.4162297 5.308939e-04
11 CH3Cl 3.5454545 -22.5123920 4.244907e-03
12 CH4 1.7777778 -8.0950234 7.120921e-04
13 Cl Inf -14.9623070 5.120000e-04
14 Cl2 2.5714286 -30.0152821 4.434831e-03
15 ClF Inf -39.2471030 2.942000e-03
16 ClO 2.7037037 -30.9557206 3.401803e-03
17 CN 2.3333333 -15.5136584 1.488025e-03
18 CO 2.4482759 -21.7422902 1.696402e-03
19 CO2 Inf -37.8388280 3.554000e-03
20 CS 3.7619048 -15.8228209 2.003207e-03
21 F 3.1666667 -24.1949308 7.392111e-04
22 F2 4.8823529 -48.4453257 4.050066e-03
23 H 0.0000000 -0.5000310 3.600000e-05
24 H2CO 2.7037037 -22.9171504 3.310751e-03
25 H2O 2.2258065 -17.2591427 1.461277e-03
26 H2O2 13.2857143 -33.2120191 4.669681e-03
27 H2S 2.4482759 -11.4106146 3.902506e-04
28 H3COH Inf -24.1332880 2.934000e-03
29 H3CSH 2.4482759 -18.2993314 4.556780e-03
30 HCl 3.3478261 -15.6303711 1.893109e-03
31 HCN 2.3333333 -16.2207532 1.825870e-03
32 HCO 2.0303030 -22.2673034 3.309960e-03
33 HF 2.3333333 -24.9104641 1.191899e-03
34 HOCl 4.5555556 -31.6166964 4.824617e-03
35 Li 1.0000000 -0.1963480 2.000000e-05
36 Li2 0.7241379 -0.4314668 3.606647e-05
37 LiF 2.5714286 -24.6088294 1.550953e-03
38 LiH 2.4482759 -0.7887656 3.051500e-05
39 N 3.0000000 -9.7986423 3.119161e-04
40 N2 2.1250000 -19.9524865 1.049009e-03
41 N2H4 2.1250000 -22.2699021 4.249432e-03
42 Na 0.6129032 -0.1821443 2.783626e-05
43 Na2 0.0000000 -0.3911310 1.820000e-04
44 NaCl 1.1276596 -15.3111605 5.178434e-03
45 NH 2.3333333 -10.4264841 7.975760e-04
46 NH2 2.1250000 -11.0809890 1.361988e-03
47 NH3 1.8571429 -11.7605194 3.873311e-04
48 NO 2.3333333 -25.9345353 2.074652e-03
49 O 2.7037037 -15.9017109 5.379650e-04
50 O2 4.2631579 -31.9858780 2.794749e-03
51 OH 2.8461538 -16.5657619 1.069541e-03
52 P 2.5714286 -6.4727488 3.693117e-04
53 P2 2.8461538 -13.1215881 2.096992e-03
54 PH2 Inf -7.7124550 8.060000e-04
55 PH3 Inf -8.3503240 1.756000e-03
56 S Inf -10.1249220 3.820000e-04
57 S2 6.6923077 -20.4034041 3.266097e-03
58 Si Inf -3.7651370 1.260000e-04
59 Si2 4.0000000 -7.6457229 9.500469e-04
60 Si2H6 3.5454545 -11.3730815 3.866939e-03
61 SiH2_1A1 6.1428571 -5.0079099 8.651497e-04
62 SiH2_3B1 7.3333333 -4.9746405 7.553294e-04
63 SiH3 Inf -5.6243160 1.250000e-03
64 SiH4 2.5714286 -6.2776917 9.959756e-04
65 SiO 3.7619048 -19.9634153 1.961472e-03
66 SO Inf -26.2122290 4.822000e-03
67 SO2 3.0000000 -42.2998947 6.613181e-03
#+end_example
** Figure MAD DZ TZ QZ
#+begin_src R :results output :session *R* :exports both
data <- data.frame(ref["Molecule"])
data <- subset(raw_data, (Method == "DMC" & Basis == "VDZ-BFD" & AtomizationEnergy != 0.))
aggregate(ae.diff~Mu, na.omit(data), mad)
#+end_src
#+RESULTS:
:
: Mu ae.diff
: 1 0.00 4.606710
: 2 0.25 4.038558
: 3 0.50 3.743644
: 4 1.00 5.417523
: 5 2.00 5.977186
: 6 5.00 6.176869
: 7 inf 7.631149
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 1200 :height 375 :session *R*
data <- subset(raw_data, (Method == "DMC" & AtomizationEnergy != 0.))
fill <- "#4271AE"
line <- "#1F3552"
d = data[c("Mu","ae.diff","Molecule","Basis")]
d$Mu <- factor(d$Mu)
labels <- as.character(c("0.00", "0.25", "0.50", "1.00", "2.00", "5.00", "$\\infty$") )
labels[7] <- TeX(labels[7])
labels[8] <- "Optimal"
p <- ggplot(d, aes(x=Basis, y=ae.diff, color=Mu))
p <- p + scale_x_discrete(name="Basis set", limits=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD"),
labels=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD")
)
p <- p + scale_y_continuous(name = TeX("Error (kcal/mol)"))
p <- p + scale_colour_discrete(name = expression(mu),
labels = labels)
p <- p + geom_boxplot(varwidth=FALSE,alpha = 1, outlier.shape = 3)
p <- p + geom_point(position = position_dodge(.75), alpha=.2, size=3, stroke=0)
p <- p + theme(text = element_text(size = 20, family="Times"))
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figure484MY8.png]]
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/g2-dmc.pdf", family="Times", width=16, height=5)
p
dev.off()
#+end_src
** Figure Ndet DZ TZ QZ
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 600 :height 400 :session *R*
data <- subset(raw_data, (Method == "DMC" & AtomizationEnergy != 0. & Mu != "opt"))
data
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figureKbK5Mu.png]]
#+begin_src R :results output graphics :file (org-babel-temp-file "figure" ".png") :exports both :width 1200 :height 375 :session *R*
data <- subset(raw_data, (Method == "DMC" & AtomizationEnergy != 0. & Mu != "opt"))
fill <- "#4271AE"
line <- "#1F3552"
d = data[c("Mu","Ndet","Molecule","Basis")]
d$Mu <- factor(d$Mu)
labels <- as.character(c("0.00", "0.25", "0.50", "1.00", "2.00", "5.00", "$\\infty$") )
labels[7] <- TeX(labels[7])
labels[8] <- "Optimal"
p <- ggplot(d, aes(x=Basis, y=Ndet, color=Mu))
p <- p + scale_x_discrete(name="Basis set", limits=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD"),
labels=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD")
)
p <- p + scale_y_continuous(name = TeX("Number of determinants"), trans = "log10",
breaks = c(1, 10, 100, 1000, 1e4, 1e5, 1e6, 1e7),
labels = c("1", "10", "100", "1000", TeX("10^4"), TeX("10^5"), TeX("10^6"), TeX("10^7")))
p <- p + scale_colour_discrete(name = expression(mu),
labels = labels)
p <- p + geom_boxplot(varwidth=FALSE,alpha = 1, outlier.shape = 3)
p <- p + geom_point(position = position_dodge(.75), alpha=.2, size=3, stroke=0)
p <- p + theme(text = element_text(size = 20, family="Times"))
p
#+end_src
#+RESULTS:
[[file:/tmp/babel-eZHQur/figureGHdF9P.png]]
#+begin_src R :results output :session *R* :exports code
pdf("../Manuscript/g2-ndet.pdf", family="Times", width=16, height=5)
p
dev.off()
#+end_src
#+RESULTS:
:
: png
: 2
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