Taming the fixed-node error in diffusion Monte Carlo via range separation
Supplementary information
Table of Contents
- 1. Links to the codes
- 2. Gaussian-1 set calculations
- 2.1. Geometries
- 2.1.1. BeH
- 2.1.2. Be
- 2.1.3. C2H2
- 2.1.4. C2H4
- 2.1.5. C2H6
- 2.1.6. CH21A1
- 2.1.7. CH23B1
- 2.1.8. CH3Cl
- 2.1.9. CH3
- 2.1.10. CH4
- 2.1.11. CH
- 2.1.12. Cl2
- 2.1.13. ClF
- 2.1.14. ClO
- 2.1.15. Cl
- 2.1.16. CN
- 2.1.17. CO2
- 2.1.18. CO
- 2.1.19. CS
- 2.1.20. C
- 2.1.21. F2
- 2.1.22. F
- 2.1.23. H2CO
- 2.1.24. H2O2
- 2.1.25. H2O
- 2.1.26. H2S
- 2.1.27. H3COH
- 2.1.28. H3CSH
- 2.1.29. HCl
- 2.1.30. HCN
- 2.1.31. HCO
- 2.1.32. HF
- 2.1.33. HOCl
- 2.1.34. H
- 2.1.35. Li2
- 2.1.36. LiF
- 2.1.37. LiH
- 2.1.38. Li
- 2.1.39. N2H4
- 2.1.40. N2
- 2.1.41. Na2
- 2.1.42. NaCl
- 2.1.43. Na
- 2.1.44. NH2
- 2.1.45. NH3
- 2.1.46. NH
- 2.1.47. NO
- 2.1.48. N
- 2.1.49. O2
- 2.1.50. OH
- 2.1.51. O
- 2.1.52. P2
- 2.1.53. PH2
- 2.1.54. PH3
- 2.1.55. P
- 2.1.56. S2
- 2.1.57. Si2H6
- 2.1.58. Si2
- 2.1.59. SiH21A1
- 2.1.60. SiH23B1
- 2.1.61. SiH3
- 2.1.62. SiH4
- 2.1.63. SiO
- 2.1.64. Si
- 2.1.65. SO2
- 2.1.66. SO
- 2.1.67. S
- 2.2. Basis sets
- 2.3. Pseudopotentials
- 2.4. Python functions to compute MAE, MSE and RMSE
- 2.5. VDZ-BFD
- 2.6. VTZ-BFD
- 2.7. VQZ-BFD
- 2.8. Python code to export Data in csv format
- 2.1. Geometries
- 3. Data for plots
1 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
2 Gaussian-1 set calculations
2.1 Geometries
Geometries are given in Angstrom, and taken from the NIST "Computational Chemistry Comparison and Benchmark DataBase" http://cccbdb.nist.gov/
2.1.1 BeH
2 BeH Mult: 2 symmetry: 5 Be 0.0 0.0 0.0 H 0.0 0.0 1.3426
2.1.2 Be
1 Be Mult: 1 symmetry: 4 Be 0.0 0.0 0.0
2.1.3 C2H2
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
2.1.4 C2H4
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
2.1.5 C2H6
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
2.1.6 CH21A1
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
2.1.7 CH23B1
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
2.1.8 CH3Cl
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
2.1.9 CH3
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
2.1.10 CH4
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
2.1.11 CH
2 CH Mult: 2 symmetry: 7 C 0.0 0.0 0.0 H 0.0 0.0 1.1199
2.1.12 Cl2
2 Cl2 Mult: 1 symmetry: 34 Cl 0.0 0.0 0.0 Cl 0.0 0.0 1.9879
2.1.13 ClF
2 ClF Mult: 1 symmetry: 26 Cl 0.0 0.0 1.6283 F 0.0 0.0 0.0
2.1.14 ClO
2 ClO Mult: 2 symmetry: 25 Cl 0.0 0.0 1.5696 O 0.0 0.0 0.0
2.1.15 Cl
1 Cl Mult: 2 symmetry: 17 Cl 0.0 0.0 0.0
2.1.16 CN
2 CN Mult: 2 symmetry: 13 C 0.0 0.0 0.0 N 0.0 0.0 1.1718
2.1.17 CO2
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
2.1.18 CO
2 CO Mult: 1 symmetry: 14 C 0.0 0.0 0.0 O 0.0 0.0 1.1282
2.1.19 CS
2 CS Mult: 1 symmetry: 22 C 0.0 0.0 0.0 S 0.0 0.0 1.5349
2.1.20 C
1 C Mult: 3 symmetry: 6 C 0.0 0.0 0.0
2.1.21 F2
2 F2 Mult: 1 symmetry: 18 F 0.0 0.0 0.0 F 0.0 0.0 1.4119
2.1.22 F
1 F Mult: 2 symmetry: 9 F 0.0 0.0 0.0
2.1.23 H2CO
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
2.1.24 H2O2
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
2.1.25 H2O
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
2.1.26 H2S
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
2.1.27 H3COH
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
2.1.28 H3CSH
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
2.1.29 HCl
2 HCl Mult: 1 symmetry: 18 Cl 0.0 0.0 0.0 H 0.0 0.0 1.2746
2.1.30 HCN
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
2.1.31 HCO
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
2.1.32 HF
2 HF Mult: 1 symmetry: 10 F 0.0 0.0 0.0 H 0.0 0.0 0.9168
2.1.33 HOCl
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
2.1.34 H
1 H Mult: 2 symmetry: 1 H 0.0 0.0 0.0
2.1.35 Li2
2 Li2 Mult: 1 symmetry: 6 Li 0.0 0.0 0.0 Li 0.0 0.0 2.673
2.1.36 LiF
2 LiF Mult: 1 symmetry: 12 F 0.0 0.0 0.0 Li 0.0 0.0 1.5639
2.1.37 LiH
2 LiH Mult: 1 symmetry: 4 H 0.0 0.0 1.5949 Li 0.0 0.0 0.0
2.1.38 Li
1 Li Mult: 2 symmetry: 3 Li 0.0 0.0 0.0
2.1.39 N2H4
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
2.1.40 N2
2 N2 Mult: 1 symmetry: 14 N 0.0 0.0 0.5488 N 0.0 0.0 -0.5488
2.1.41 Na2
2 Na2 Mult: 1 symmetry: 22 Na 0.0 0.0 0.0 Na 0.0 0.0 3.0789
2.1.42 NaCl
2 NaCl Mult: 1 symmetry: 28 Cl 0.0 0.0 2.3608 Na 0.0 0.0 0.0
2.1.43 Na
1 Na Mult: 2 symmetry: 11 Na 0.0 0.0 0.0
2.1.44 NH2
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
2.1.45 NH3
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
2.1.46 NH
2 NH Mult: 3 symmetry: 8 H 0.0 0.0 1.0362 N 0.0 0.0 0.0
2.1.47 NO
2 NO Mult: 2 symmetry: 15 N 0.0 0.0 1.1508 O 0.0 0.0 0.0
2.1.48 N
1 N Mult: 4 symmetry: 7 N 0.0 0.0 0.0
2.1.49 O2
2 O2 Mult: 3 symmetry: 16 O 0.0 0.0 0.0 O 0.0 0.0 1.2075
2.1.50 OH
2 OH Mult: 2 symmetry: 9 H 0.0 0.0 0.9697 O 0.0 0.0 0.0
2.1.51 O
1 O Mult: 3 symmetry: 8 O 0.0 0.0 0.0
2.1.52 P2
2 P2 Mult: 1 symmetry: 30 P 0.0 0.0 0.0 P 0.0 0.0 1.8934
2.1.53 PH2
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
2.1.54 PH3
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
2.1.55 P
1 P Mult: 4 P 0.0 0.0 0.0
2.1.56 S2
2 S2 Mult: 3 S 0.0 0.0 0.0 S 0.0 0.0 1.8892
2.1.57 Si2H6
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
2.1.58 Si2
2 Si2 Mult: 3 Si 0.0 0.0 0.0 Si 0.0 0.0 2.246
2.1.59 SiH21A1
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
2.1.60 SiH23B1
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
2.1.61 SiH3
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
2.1.62 SiH4
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
2.1.63 SiO
2 SiO Mult: 1 O 0.0 0.0 1.5097 Si 0.0 0.0 0.0
2.1.64 Si
1 Si Mult: 3 Si 0.0 0.0 0.0
2.1.65 SO2
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
2.1.66 SO
2 SO Mult: 3 O 0.0 0.0 1.4811 S 0.0 0.0 0.0
2.1.67 S
1 S Mult: 3 S 0.0 0.0 0.0
for i in ~/G2/XYZ/*.xyz do printf "*** $(basename $i)\n#+begin_example\n$(cat $i)\n#+end_example\n\n" done
2.2 Basis sets
2.2.1 VDZ-BFD
- H
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
- Li
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
- Be
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
- C
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
- N
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
- O
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
- F
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
- Na
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
- Si
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
- P
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
- S
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
- Cl
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
2.2.2 VTZ-BFD
- H
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
- Li
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
- Be
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
- C
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
- N
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
- O
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
- F
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
- Na
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
- Si
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
- P
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
- S
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
- Cl
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
2.2.3 VQZ-BFD
- H
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
- Li
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
- Be
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
- C
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
- N
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
- O
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
- F
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
- Na
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
- Si
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
- P
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
- S
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
- Cl
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
2.3 Pseudopotentials
2.3.1 H
H GEN 0 0 3 1.00000000 1 4.47692410 4.47692410 3 2.97636451 -4.32112340 2 3.01841596
2.3.2 Li
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
2.3.3 Be
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
2.3.4 C
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
2.3.5 N
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
2.3.6 O
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
2.3.7 F
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
2.3.8 Na
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
2.3.9 Si
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
2.3.10 P
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
2.3.11 S
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
2.3.12 Cl
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
2.4 Python functions to compute MAE, MSE and RMSE
2.5 VDZ-BFD
2.5.1 CCSD(T)
| ecal | aecal | aenr | aediff | |
|---|---|---|---|---|
| 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 |
| CH21A1 | -6.673470 | 0.266138 | 0.288900 | -14.283148 |
| CH23B1 | -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 |
| SiH21A1 | -4.967724 | 0.222259 | 0.243000 | -13.015374 |
| SiH23B1 | -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 |
2.5.2 DFT
- PBE
ecal aecal aenr aediff 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 CH21A1 -6.693746 0.280882 0.288900 -5.031326 CH23B1 -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 SiH21A1 -4.991833 0.232175 0.243000 -6.792524 SiH23B1 -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 - BLYP
ecal aecal aenr aediff 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 CH21A1 -6.680512 0.280018 0.288900 -5.573735 CH23B1 -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 SiH21A1 -4.974313 0.238632 0.243000 -2.740794 SiH23B1 -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 - PBE0
ecal aecal aenr aediff 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 CH21A1 -6.697562 0.277555 0.288900 -7.119041 CH23B1 -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 SiH21A1 -4.995147 0.230141 0.243000 -8.069434 SiH23B1 -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 - B3LYP
ecal aecal aenr aediff 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 CH21A1 -6.714134 0.282217 0.288900 -4.193516 CH23B1 -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 SiH21A1 -5.007363 0.240635 0.243000 -1.484352 SiH23B1 -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
2.5.3 \(\mu=0\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.693162 0.283209 0.288900 -3.571043 11 CH23B1 -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 SiH21A1 -4.991589 0.234071 0.243000 -5.603195 23 SiH23B1 -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 - DMC
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 CH21A1 -6.703492 0.000238 0.286770 0.000266 0.288900 -1.336311 0.167125 11 CH23B1 -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 SiH21A1 -5.001084 0.000271 0.242386 0.000301 0.243000 -0.385367 0.188852 23 SiH23B1 -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
2.5.4 \(\mu=1/4\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.693768 0.277799 0.288900 -6.966033 8 CH23B1 -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 SiH21A1 -4.987179 0.229613 0.243000 -8.400549 148 SiH23B1 -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 - DMC
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 CH21A1 -6.705096 0.000214 0.286988 0.000252 0.288900 -1.200013 0.158314 8 CH23B1 -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 SiH21A1 -5.002280 0.000298 0.242422 0.000316 0.243000 -0.362891 0.198585 148 SiH23B1 -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
2.5.5 \(\mu=1/2\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.698845 0.270049 0.288900 -11.829303 835 CH23B1 -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 SiH21A1 -4.985178 0.225004 0.243000 -11.292633 1591 SiH23B1 -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 - 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 CH21A1 -6.711544 0.000153 0.289206 0.000166 0.288900 0.191740 0.103885 CH23B1 -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 SiH21A1 -5.005431 0.000169 0.242591 0.000180 0.243000 -0.256638 0.113068 SiH23B1 -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 - DMC
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 CH21A1 -6.711440 0.000139 0.289004 0.000157 0.288900 0.064962 0.098268 835 CH23B1 -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 SiH21A1 -5.005695 0.000197 0.242843 0.000202 0.243000 -0.098230 0.127067 1591 SiH23B1 -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
2.5.6 \(\mu=1\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.693312 0.271476 0.288900 -10.933550 5231 CH23B1 -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 SiH21A1 -4.979344 0.225265 0.243000 -11.129170 6400 SiH23B1 -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 - DMC
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 CH21A1 -6.716232 0.000080 0.286648 0.000095 0.288900 -1.413201 0.059843 5231 CH23B1 -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 SiH21A1 -5.006307 0.000137 0.241547 0.000147 0.243000 -0.912005 0.091954 6400 SiH23B1 -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
2.5.7 \(\mu=2\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.684705 0.272403 0.288900 -10.351722 17886 CH23B1 -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 SiH21A1 -4.973084 0.224768 0.243000 -11.440868 15271 SiH23B1 -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 - DMC
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 CH21A1 -6.716863 0.000386 0.284956 0.000397 0.288900 -2.475141 0.249249 17886 CH23B1 -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 SiH21A1 -5.006767 0.000368 0.241747 0.000376 0.243000 -0.786424 0.236112 15271 SiH23B1 -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
2.5.8 \(\mu=5\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.677066 0.268564 0.288900 -12.760815 33173 CH23B1 -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 SiH21A1 -4.969493 0.223265 0.243000 -12.383783 32755 SiH23B1 -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 - DMC
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 CH21A1 -6.716850 0.000513 0.284942 0.000522 0.288900 -2.483772 0.327298 33173 CH23B1 -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 SiH21A1 -5.007868 0.000444 0.242796 0.000453 0.243000 -0.127880 0.284098 32755 SiH23B1 -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
2.5.9 FCI
- CIPSI
Total E Delta E Reference Error Hartree Hartree Hartree kcal/mol ecal aecal aenr aediff 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 CH21A1 -6.674394 0.000001 0.266704 0.000005 0.288900 -13.927911 0.003396 CH23B1 -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 SiH21A1 -4.968425 0.000005 0.222501 0.000006 0.243000 -12.863146 0.003838 SiH23B1 -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 - DMC
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 CH21A1 -6.715937 0.000274 0.284230 0.000282 0.288900 -2.930337 0.176733 33542 CH23B1 -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 SiH21A1 -5.006581 0.000257 0.241453 0.000265 0.243000 -0.970756 0.166341 SiH23B1 -4.974331 0.000249 0.209203 0.000258 0.210000 -0.499925 0.161639 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
2.5.10 Optimal mu
- DMC
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 CH21A1 -6.716895 0.001010 0.284820 0.001033 0.288900 -2.560366 0.648276 CH23B1 -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 SiH21A1 -5.007910 0.000865 0.242711 0.000877 0.243000 -0.181413 0.550475 SiH23B1 -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
2.6 VTZ-BFD
2.6.1 CCSD(T)
| ecal | aecal | aenr | aediff | |
|---|---|---|---|---|
| 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 |
| CH21A1 | -6.705994 | 0.280436 | 0.288900 | -5.311028 |
| CH23B1 | -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 |
| SiH21A1 | -5.001166 | 0.240315 | 0.243000 | -1.684898 |
| SiH23B1 | -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 |
2.6.2 DFT
- PBE
ecal aecal aenr aediff 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 CH21A1 -6.697363 0.283326 0.288900 -3.497800 CH23B1 -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 SiH21A1 -4.997928 0.238002 0.243000 -3.136498 SiH23B1 -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 - BLYP
ecal aecal aenr aediff 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 CH21A1 -6.685429 0.283108 0.288900 -3.634447 CH23B1 -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 SiH21A1 -4.981718 0.245516 0.243000 1.578798 SiH23B1 -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 - PBE0
ecal aecal aenr aediff 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 CH21A1 -6.700648 0.279961 0.288900 -5.609285 CH23B1 -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 SiH21A1 -5.001358 0.236123 0.243000 -4.315690 SiH23B1 -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 - B3LYP
ecal aecal aenr aediff 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 CH21A1 -6.718234 0.285162 0.288900 -2.345487 CH23B1 -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 SiH21A1 -5.014671 0.247626 0.243000 2.903058 SiH23B1 -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
2.6.3 \(\mu=0\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.697257 0.279875 0.288900 -5.663400 47 CH23B1 -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 SiH21A1 -4.997705 0.233341 0.243000 -6.061354 47 SiH23B1 -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 - DMC
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 CH21A1 -6.705087 0.000064 0.288055 0.000070 0.288900 -0.530061 0.044019 47 CH23B1 -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 SiH21A1 -5.002718 0.000059 0.244155 0.000066 0.243000 0.724775 0.041604 47 SiH23B1 -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
2.6.4 \(\mu=1/4\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.698159 0.281577 0.288900 -4.595339 171 CH23B1 -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 SiH21A1 -4.994242 0.235923 0.243000 -4.441145 302 SiH23B1 -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 - DMC
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 CH21A1 -6.707438 0.000168 0.289504 0.000177 0.288900 0.379233 0.110949 171 CH23B1 -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 SiH21A1 -5.004371 0.000299 0.244195 0.000313 0.243000 0.750010 0.196653 302 SiH23B1 -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
2.6.5 \(\mu=1/2\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.704228 0.273349 0.288900 -9.758615 1463 CH23B1 -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 SiH21A1 -4.996287 0.232093 0.243000 -6.844398 3641 SiH23B1 -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 - 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 CH21A1 -6.712542 0.000231 0.289567 0.000239 0.288900 0.418832 0.149699 CH23B1 -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 SiH21A1 -5.008728 0.000218 0.244743 0.000224 0.243000 1.093599 0.140808 SiH23B1 -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 - DMC
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 CH21A1 -6.712121 0.000156 0.288850 0.000160 0.288900 -0.031542 0.100246 1463 CH23B1 -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 SiH21A1 -5.008642 0.000074 0.244769 0.000083 0.243000 1.109872 0.051919 3641 SiH23B1 -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
2.6.6 \(\mu=1\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.704677 0.276538 0.288900 -7.757554 21073 CH23B1 -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 SiH21A1 -4.999600 0.236221 0.243000 -4.253971 48779 SiH23B1 -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 - DMC
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 CH21A1 -6.717705 0.000218 0.287744 0.000335 0.288900 -0.725514 0.210234 21073 CH23B1 -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 SiH21A1 -5.011546 0.000151 0.244710 0.000243 0.243000 1.072803 0.152680 48779 SiH23B1 -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
2.6.7 FCI
- CIPSI
Total E Delta E Reference Error Hartree Hartree Hartree kcal/mol ecal aecal aenr aediff 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 CH21A1 -6.707051 0.000001 0.280957 0.000013 0.288900 -4.984375 0.008216 CH23B1 -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 SiH21A1 -5.002130 0.000004 0.240420 0.000006 0.243000 -1.619239 0.003653 SiH23B1 -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
2.7 VQZ-BFD
2.7.1 CCSD(T)
| ecal | aecal | aenr | aediff | |
|---|---|---|---|---|
| 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 |
| CH21A1 | -6.715727 | 0.284271 | 0.288900 | -2.905053 |
| CH23B1 | -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 |
| SiH21A1 | -5.010012 | 0.244097 | 0.243000 | 0.688283 |
| SiH23B1 | -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 |
2.7.2 DFT
- PBE
ecal aecal aenr aediff 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 CH21A1 -6.698745 0.281086 0.288900 -4.903179 CH23B1 -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 SiH21A1 -4.999649 0.236176 0.243000 -4.281950 SiH23B1 -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 - BLYP
ecal aecal aenr aediff 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 CH21A1 -6.687178 0.281244 0.288900 -4.804164 CH23B1 -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 SiH21A1 -4.983426 0.243973 0.243000 0.610412 SiH23B1 -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 - PBE0
ecal aecal aenr aediff 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 CH21A1 -6.701849 0.278273 0.288900 -6.668662 CH23B1 -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 SiH21A1 -5.003141 0.234985 0.243000 -5.029784 SiH23B1 -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 - B3LYP
ecal aecal aenr aediff 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 CH21A1 -6.719706 0.283687 0.288900 -3.271109 CH23B1 -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 SiH21A1 -5.016390 0.246597 0.243000 2.257138 SiH23B1 -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
2.7.3 \(\mu=0\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.698453 0.285331 0.288900 -2.239894 23 CH23B1 -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 SiH21A1 -4.999333 0.239120 0.243000 -2.435017 47 SiH23B1 -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 - DMC
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 CH21A1 -6.705378 0.000195 0.288390 0.000219 0.288900 -0.319736 0.137646 23 CH23B1 -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 SiH21A1 -5.003925 0.000286 0.245260 0.000302 0.243000 1.418044 0.189294 47 SiH23B1 -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
2.7.4 \(\mu=1/4\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.699553 0.280670 0.288900 -5.164125 120 CH23B1 -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 SiH21A1 -4.996184 0.235097 0.243000 -4.959125 354 SiH23B1 -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 - DMC
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 CH21A1 -6.707476 0.000171 0.289594 0.000187 0.288900 0.435632 0.117236 120 CH23B1 -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 SiH21A1 -5.006050 0.000247 0.245648 0.000248 0.243000 1.661813 0.155917 354 SiH23B1 -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
2.7.5 \(\mu=1/2\)
- CIPSI
ecal aecal aenr aediff 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 CH21A1 -6.706420 0.272842 0.288900 -10.076400 6122 CH23B1 -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 SiH21A1 -4.998740 0.231756 0.243000 -7.055508 9998 SiH23B1 -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 - DMC
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 CH21A1 -6.713371 0.000052 0.290105 0.000092 0.288900 0.756312 0.057541 6122 CH23B1 -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 SiH21A1 -5.010329 0.000061 0.245818 0.000106 0.243000 1.768226 0.066760 9998 SiH23B1 -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
2.7.6 FCI
- CIPSI
Total E Delta E Reference Error Hartree Hartree Hartree kcal/mol ecal aecal aenr aediff 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 CH21A1 -6.716786 0.000001 0.284791 0.000004 0.288900 -2.578570 0.002633 CH23B1 -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 SiH21A1 -5.011004 0.000002 0.244233 0.000003 0.243000 0.773601 0.001672 SiH23B1 -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
2.8 Python code to export Data in csv format
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)
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)
3 Data for plots
3.1 Initialize R packages
to_kcal <- 627.502164882 library(ggplot2) library(latex2exp) library(extrafont) library(RColorBrewer) loadfonts()
3.2 Read csv
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)
Error in read.table(file = file, header = header, sep = sep, quote = quote, :
more columns than column names
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 : 1176081
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 :1165
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
3.3 Figure 2 (H2O)
| \(\mu\) | Ndet | E(DMC,srPBE,DZ) | Error | Ndet | 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 |
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
Export to pdf
pdf("../Manuscript/h2o-dmc.pdf", family="Times", width=8, height=5) p dev.off()
3.4 Comparision with Jastrow optimized wf
Parameters of the Jastrow: Jee = a r12 / (1 + b r12) JeN = -(p r12 / (1 + p r12))2 a = 1/2 b = 0.886226925453 pH = 0.3467 pO = 1.1485 (energy minimization)
3.4.1 Overlap
CI coefficients of the 200-determinant expansions
| FCI | 0.00 | 0.25 | 0.50 | 1.00 | 2.00 | 5.00 | Inf | Jastrow |
|---|---|---|---|---|---|---|---|---|
| 0.969695671413596E+00 | -0.999733663182885E+00 | 0.999803185482687E+00 | 0.998466480333810E+00 | 0.991423566546587E+00 | -0.983176328418711E+00 | -0.978364799815062E+00 | -0.977083999648621E+00 | -0.987834420493285 |
| 0.131088747893699E-01 | -0.104485752583392E-01 | 0.702605591187329E-02 | 0.481764116832300E-03 | 0.197796601475416E-02 | -0.115995416441420E-01 | -0.174175699292835E-01 | -0.187187069442464E-01 | 0.0398512067149162 |
| -0.129943095146451E-01 | 0.111881588726156E-01 | -0.682620635992935E-02 | -0.394859692395444E-04 | -0.460360454607027E-02 | 0.116028512059575E-01 | 0.119470509522246E-01 | 0.112815556990736E-01 | 0.0372688900776611 |
| 0.972971395490034E-02 | 0.339444693124994E-04 | -0.524551470894519E-03 | 0.162108938605290E-02 | 0.905576396240185E-02 | -0.120366789592802E-01 | -0.109443755350923E-01 | -0.102413435601426E-01 | -0.00914840110514434 |
| -0.254994164831355E-01 | -0.662558112296814E-06 | -0.325871925685043E-02 | -0.127981617075826E-01 | -0.238732152878004E-01 | 0.267668717642508E-01 | 0.261897042425749E-01 | 0.258111060709736E-01 | 0.0147899718245479 |
| 0.776113893977705E-02 | 0.406113044549076E-07 | 0.321405689506951E-03 | 0.221349240278494E-02 | 0.637424496663038E-02 | -0.832017217471625E-02 | -0.833945103894633E-02 | -0.823118788690388E-02 | -0.00448409544434367 |
| -0.791111596680049E-02 | 0.406139012502911E-02 | -0.380407690144383E-02 | 0.232005581381352E-03 | 0.167224543935827E-02 | 0.415701677085589E-02 | 0.967722232206246E-02 | 0.114260691098022E-01 | -0.0219100779143276 |
| -0.223548469248530E-01 | -0.900997212273072E-05 | -0.137653701905013E-02 | -0.768011269616620E-02 | -0.189303982307990E-01 | 0.233808684126943E-01 | 0.226940248009017E-01 | 0.220416054198727E-01 | 0.0106547056060864 |
| 0.213136318632430E-01 | 0.356798730587106E-04 | 0.121313340972735E-02 | 0.708852601886533E-02 | 0.179282127255190E-01 | -0.226020976741616E-01 | -0.221496320991194E-01 | -0.215548081260746E-01 | -0.00867791649533285 |
| -0.104339265968529E-01 | -0.381378586945971E-05 | -0.680720627119250E-03 | -0.354280562855306E-02 | -0.855021360417255E-02 | 0.109192108257794E-01 | 0.109263128323151E-01 | 0.107129480406511E-01 | 0.00646772292524195 |
| 0.109230957664194E-01 | 0.000000000000000E+00 | 0.154990731041504E-02 | 0.575045518684085E-02 | 0.104276723431518E-01 | -0.118172676115185E-01 | -0.117965411557006E-01 | -0.117264585582274E-01 | -0.00451084697346129 |
| -0.119622959223168E-01 | 0.000000000000000E+00 | -0.154597112654175E-02 | -0.582047449528553E-02 | -0.104528470247947E-01 | 0.115216530043109E-01 | 0.112997348171178E-01 | 0.111777715913127E-01 | 0.00266709426786305 |
| -0.111596566608069E-01 | 0.000000000000000E+00 | -0.123160163978303E-02 | -0.506338617834163E-02 | -0.102771319446556E-01 | 0.122860918189922E-01 | 0.124595868248317E-01 | 0.124186149927723E-01 | 0.00188316068279619 |
| 0.137387345839057E-01 | 0.251557526489271E-04 | 0.541547288087643E-03 | 0.468543913171561E-02 | 0.121062750418601E-01 | -0.143658983289980E-01 | -0.136763662810240E-01 | -0.132405644288423E-01 | -0.00587566766296137 |
| 0.837597151318860E-02 | -0.185924983476184E-04 | -0.136589919364892E-03 | 0.170697957470266E-02 | 0.688623812673380E-02 | -0.878512129035580E-02 | -0.857591371420884E-02 | -0.841360565915822E-02 | -0.00424073861683214 |
| -0.819475579262494E-02 | -0.697652407058172E-05 | -0.114503934213567E-03 | -0.209855881602950E-02 | -0.659025154465612E-02 | 0.860291442704223E-02 | 0.837954972419234E-02 | 0.807001384027623E-02 | 0.00483998227933895 |
| -0.117638587830503E-01 | 0.000000000000000E+00 | -0.902419351653777E-03 | -0.424957197938745E-02 | -0.100089358347310E-01 | 0.128380988379386E-01 | 0.132072717146503E-01 | 0.131690763619270E-01 | 0.0011902937702872 |
| -0.767766868098741E-02 | 0.170117426912358E-02 | -0.168130001878759E-02 | 0.113661498850558E-03 | 0.622385561990550E-04 | 0.374595582961604E-02 | 0.700862064035772E-02 | 0.798408034695958E-02 | 0.0212136597540112 |
| 0.129551940910544E-01 | 0.271849191777397E-05 | 0.510968292935075E-03 | 0.364914627591033E-02 | 0.102477800920206E-01 | -0.133380800087613E-01 | -0.133997384490668E-01 | -0.131799215685176E-01 | -0.00509979041824813 |
| 0.125227401017954E-01 | 0.591847114071351E-07 | 0.882195306080212E-03 | 0.427732648576413E-02 | 0.105673038016075E-01 | -0.138436968974184E-01 | -0.142154244264999E-01 | -0.141347712827792E-01 | -0.00118262117097038 |
| -0.760884001023741E-02 | 0.353768692068465E-02 | -0.185634727520029E-02 | 0.155742855893195E-04 | -0.332184607781808E-02 | 0.761725298788151E-02 | 0.730854817790189E-02 | 0.651012561375278E-02 | 0.0156023177401749 |
| -0.120492336549181E-01 | 0.360402675408501E-04 | -0.787648868354408E-04 | -0.297068625464222E-02 | -0.104531721091251E-01 | 0.128838659215040E-01 | 0.120464174639767E-01 | 0.116143989074486E-01 | 0.00589306882171158 |
| 0.792206604529971E-02 | 0.466216709923358E-07 | -0.101657998963166E-03 | 0.987918993156439E-03 | 0.511656772754620E-02 | -0.770147170718670E-02 | -0.772540624276975E-02 | -0.745136316124712E-02 | -0.00324187860561202 |
| 0.825444655396965E-02 | -0.132946281232587E-04 | -0.449781023871119E-04 | 0.141792777781051E-02 | 0.615065036090336E-02 | -0.806324505648662E-02 | -0.758952062880055E-02 | -0.729831519508453E-02 | -0.00311180747174255 |
| 0.111405515012557E-01 | -0.319334678387862E-06 | 0.575410044617288E-03 | 0.364118653030743E-02 | 0.922102984963645E-02 | -0.115765218782830E-01 | -0.116712353711679E-01 | -0.115360661567927E-01 | -0.00374579013664508 |
| 0.117190732055096E-01 | 0.335268657575263E-06 | 0.432345546872592E-03 | 0.287209209697612E-02 | 0.863595416545389E-02 | -0.119244700197808E-01 | -0.121174433383216E-01 | -0.118977844765705E-01 | -0.00443806892179968 |
| -0.581721142267922E-01 | -0.684388952898643E-11 | -0.302238482709022E-02 | -0.144524534833201E-01 | -0.335402095070856E-01 | 0.468243263603131E-01 | 0.543113181150139E-01 | 0.564330401761838E-01 | 0.047542317393305 |
| 0.365598613436511E-01 | 0.376877991709784E-04 | 0.244137609010057E-02 | 0.112669730074777E-01 | 0.253941123801438E-01 | -0.335832752593519E-01 | -0.364833880814082E-01 | -0.370421132677043E-01 | -0.0259103396899121 |
| 0.124152149325602E-01 | -0.277754802953996E-04 | 0.684193921690730E-04 | 0.192668619383335E-02 | 0.674012543888668E-02 | -0.954711694791529E-02 | -0.107193279955239E-01 | -0.110299872995751E-01 | -0.00808496494807386 |
| -0.170552634114508E-01 | -0.665397188244642E-06 | -0.168682177225327E-02 | -0.716367825946030E-02 | -0.142921253794472E-01 | 0.168050051527608E-01 | 0.171606435990471E-01 | 0.171791793041697E-01 | 0.0103494976181447 |
| -0.297371988399929E-01 | -0.918055241904648E-05 | -0.140714614989139E-02 | -0.783695534348231E-02 | -0.196534034677038E-01 | 0.262425121175314E-01 | 0.283486263797130E-01 | 0.287409563527077E-01 | 0.0172920092801223 |
| 0.955093915781298E-02 | 0.814822187143572E-12 | 0.661586102297786E-04 | 0.214616738383438E-02 | 0.597452422020285E-02 | -0.782179107092681E-02 | -0.933947602165437E-02 | -0.993487565586782E-02 | -0.00742537397190699 |
| -0.756024504575195E-02 | 0.898927013581166E-06 | 0.700732834966199E-03 | 0.611784480326621E-03 | -0.312245266532426E-02 | 0.621501680017294E-02 | 0.758564179256579E-02 | 0.792249265430867E-02 | 0.00429150930951571 |
| 0.172241195888249E-01 | -0.574278711142016E-05 | -0.172713784085784E-03 | 0.122045675918193E-02 | 0.720635569175472E-02 | -0.129440695263552E-01 | -0.160448266691293E-01 | -0.168299896823664E-01 | -0.0111830919308163 |
| -0.130236775099534E-01 | 0.887648281520229E-11 | 0.477965048015385E-03 | 0.695154223763798E-03 | -0.320990784054004E-02 | 0.874095813726142E-02 | 0.123707646573229E-01 | 0.134212566010221E-01 | 0.00892586937933544 |
| -0.313916302746817E-01 | 0.000000000000000E+00 | -0.281163458597272E-02 | -0.994644455365372E-02 | -0.192089332073059E-01 | 0.264336788880887E-01 | 0.306994032288094E-01 | 0.318317113613534E-01 | 0.0200951076214346 |
| 0.812489384478648E-02 | 0.000000000000000E+00 | 0.354742450615577E-03 | 0.122324117454676E-02 | 0.314155473111941E-02 | -0.567748977925472E-02 | -0.735316907487644E-02 | -0.779419454187586E-02 | -0.00605776989841365 |
| 0.268316788587238E-01 | 0.740270630102631E-06 | 0.298966678038619E-02 | 0.991595365877501E-02 | 0.171692649550946E-01 | -0.225434880075266E-01 | -0.263614516367015E-01 | -0.275235311050581E-01 | -0.0155400884716795 |
| 0.844549729825379E-02 | -0.133899164696671E-07 | 0.151176930693753E-02 | 0.549013710333543E-02 | 0.950208217931725E-02 | -0.100663572349866E-01 | -0.932078785190921E-02 | -0.898874371342747E-02 | -0.00119969659871283 |
| 0.135757022932427E-01 | 0.000000000000000E+00 | 0.156366209377833E-02 | 0.585126921928880E-02 | 0.110925971227317E-01 | -0.136629981815653E-01 | -0.145818272845119E-01 | -0.147748073218457E-01 | -0.00547929527682478 |
| -0.812474462427313E-02 | 0.000000000000000E+00 | -0.397091312254025E-03 | -0.228005091866900E-02 | -0.594693916339321E-02 | 0.805168383480243E-02 | 0.841716225210253E-02 | 0.837429690315341E-02 | 0.00438499560274684 |
| 0.812492692559669E-02 | 0.000000000000000E+00 | 0.354742450614737E-03 | 0.122324117454674E-02 | 0.314155473111936E-02 | -0.567748977925467E-02 | -0.735316907487687E-02 | -0.779419454187622E-02 | -0.00534267279601888 |
| -0.185170430306074E-01 | 0.000000000000000E+00 | -0.117898229731494E-03 | -0.113057759091328E-02 | -0.591220987097342E-02 | 0.126141434754570E-01 | 0.167242365765794E-01 | 0.177457721099509E-01 | 0.0134589644946209 |
| 0.866597603622737E-02 | -0.270553036694593E-05 | -0.297317877640688E-03 | -0.289144034885031E-03 | 0.200106786476826E-02 | -0.517032164113016E-02 | -0.720366104994107E-02 | -0.775791622514247E-02 | -0.00736306689961341 |
| -0.818542856940249E-02 | 0.000000000000000E+00 | -0.181436548943979E-03 | -0.932276122732374E-03 | -0.319302224150782E-02 | 0.584845278613558E-02 | 0.723724163189001E-02 | 0.754637355071081E-02 | 0.00490730657208588 |
| 0.109651840866904E-01 | -0.424225325947559E-06 | -0.377304466765942E-04 | 0.272968023864533E-04 | 0.208959359536769E-02 | -0.672156467267241E-02 | -0.102736787241450E-01 | -0.112556056664981E-01 | -0.00875305072719258 |
| 0.927718975914440E-02 | 0.000000000000000E+00 | 0.466618656513354E-04 | 0.723588084455668E-03 | 0.376753972454679E-02 | -0.744536579408784E-02 | -0.943032194309742E-02 | -0.989640646869462E-02 | -0.00492371777568173 |
| 0.889163618469537E-02 | 0.000000000000000E+00 | 0.485187395066290E-05 | 0.415581520514210E-03 | 0.289531438456914E-02 | -0.635410334868981E-02 | -0.828045896282190E-02 | -0.872450382227227E-02 | -0.0041887619435471 |
| 0.268315724342054E-01 | 0.740270630101763E-06 | 0.298966678038639E-02 | 0.991595365877527E-02 | 0.171692649550946E-01 | -0.225434880075264E-01 | -0.263614516367007E-01 | -0.275235311050587E-01 | -0.0180186053573762 |
| 0.866596707947581E-02 | -0.270553036694577E-05 | -0.297317877641461E-03 | -0.289144034885062E-03 | 0.200106786476858E-02 | -0.517032164113073E-02 | -0.720366104994150E-02 | -0.775791622514434E-02 | -0.00460373298273195 |
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| -0.120492342471984E-01 | 0.360402675408501E-04 | -0.787648868353734E-04 | -0.297068625464227E-02 | -0.104531721091251E-01 | 0.128838659215041E-01 | 0.120464174639762E-01 | 0.116143989074484E-01 | 0.00522929587830472 |
| 0.792219136561983E-02 | 0.466216709923814E-07 | -0.101657998963466E-03 | 0.987918993156524E-03 | 0.511656772754621E-02 | -0.770147170718672E-02 | -0.772540624276987E-02 | -0.745136316124725E-02 | -0.00656935507157794 |
| 0.825438036014358E-02 | -0.132946281232588E-04 | -0.449781023865623E-04 | 0.141792777781042E-02 | 0.615065036090337E-02 | -0.806324505648669E-02 | -0.758952062880000E-02 | -0.729831519508465E-02 | -0.0011321632689968 |
| 0.111406389421275E-01 | -0.319334678387280E-06 | 0.575410044617288E-03 | 0.364118653030747E-02 | 0.922102984963639E-02 | -0.115765218782830E-01 | -0.116712353711680E-01 | -0.115360661567921E-01 | -0.00370619492695258 |
| 0.117191506351016E-01 | 0.335268657575272E-06 | 0.432345546872292E-03 | 0.287209209697611E-02 | 0.863595416545413E-02 | -0.119244700197806E-01 | -0.121174433383217E-01 | -0.118977844765708E-01 | -0.00553321381921573 |
| -0.130237881485023E-01 | 0.887670958901716E-11 | 0.477965048015382E-03 | 0.695154223763791E-03 | -0.320990784054004E-02 | 0.874095813726138E-02 | 0.123707646573229E-01 | 0.134212566010224E-01 | 0.00955242034176507 |
| 0.819803350939498E-02 | -0.816886682961025E-05 | -0.355762961005057E-03 | -0.489206024101711E-03 | 0.285165619362894E-02 | -0.696201665118906E-02 | -0.877167318687098E-02 | -0.913140359498426E-02 | -0.00632908929091892 |
| 0.747262528743041E-02 | 0.649591327520179E-05 | -0.123390612778577E-04 | 0.205049429971637E-03 | 0.263387606767852E-02 | -0.584668147887199E-02 | -0.753823777194118E-02 | -0.794085224649549E-02 | -0.00393044614450558 |
| -0.108181443011069E-01 | 0.204808048653619E-05 | 0.203872752278441E-03 | 0.704230049301680E-04 | -0.374896520888333E-02 | 0.823512451981881E-02 | 0.100648234104339E-01 | 0.103982616505628E-01 | 0.00571751588335349 |
| 0.851049922758990E-02 | 0.135928348311714E-05 | 0.170911254414815E-04 | 0.164755157020059E-03 | 0.241331880126487E-02 | -0.558705180650851E-02 | -0.732795067246413E-02 | -0.775091555917557E-02 | -0.00431431976690268 |
| -0.126042276701759E-01 | -0.183419724779656E-10 | -0.897051772194335E-04 | -0.461150276413781E-03 | -0.350535209474390E-02 | 0.863722891631347E-02 | 0.121258800304608E-01 | 0.131081989036795E-01 | 0.00844449469251291 |
| -0.836096951982085E-02 | 0.290871280193618E-04 | 0.309903345118787E-03 | 0.404964632900330E-03 | -0.209777155047293E-02 | 0.592962310891359E-02 | 0.873167600677304E-02 | 0.958841171785473E-02 | 0.00637467426804887 |
| 0.775467939827242E-02 | -0.800202220096485E-05 | -0.133619432719727E-03 | 0.138873264746056E-03 | 0.325002495949640E-02 | -0.645902506476627E-02 | -0.755507150679001E-02 | -0.771171446603960E-02 | -0.00408309402254899 |
| -0.790318212177865E-02 | -0.412532903765065E-05 | -0.694667943679565E-04 | -0.273222715383000E-03 | -0.173346789697795E-02 | 0.472564118652667E-02 | 0.695204223803858E-02 | 0.757910437479970E-02 | 0.0040978020978769 |
| 0.927712886567937E-02 | 0.000000000000000E+00 | 0.466618656517251E-04 | 0.723588084455668E-03 | 0.376753972454679E-02 | -0.744536579408784E-02 | -0.943032194309764E-02 | -0.989640646869473E-02 | -0.00454943025097007 |
| 0.889160840437150E-02 | 0.000000000000000E+00 | 0.485187395052070E-05 | 0.415581520514552E-03 | 0.289531438456888E-02 | -0.635410334868976E-02 | -0.828045896282116E-02 | -0.872450382227153E-02 | -0.00444757479043021 |
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
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
Mu H2O
mu_0 0.00 0.9875157
mu_025 0.25 0.9885532
mu_05 0.50 0.9918674
mu_1 1.00 0.9943390
mu_2 2.00 0.9926737
mu_5 5.00 0.9906157
mu_inf Inf 0.9899355
expression("0", "0.25", "0.5", "1", "2", "5", paste("", "", infinity,
""))
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
pdf("../Manuscript/overlap.pdf", family="Times", width=8, height=5) p dev.off()
3.4.2 DMC energies
| 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
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
Export to pdf
pdf("../Manuscript/h2o-200-dmc.pdf", family="Times", width=8, height=5) p dev.off()
3.5 On-top pair density
| R | 0.0 | 0.25 | 0.5 | 1.0 | 2.0 | 5.0 | Inf. | Jastrow |
|---|---|---|---|---|---|---|---|---|
| 0.0000000000 | 0.0133216767 | 0.0132032034 | 0.0130207444 | 0.0131256614 | 0.0132897530 | 0.0132720556 | 0.0132434061 | 0.0137788277 |
| 0.0025392250 | 0.0132223154 | 0.0131033958 | 0.0129200491 | 0.0130247908 | 0.0131878470 | 0.0131693560 | 0.0131405965 | 0.0136955491 |
| 0.0050784500 | 0.0131459155 | 0.0130264937 | 0.0128420692 | 0.0129462616 | 0.0131078980 | 0.0130883212 | 0.0130593617 | 0.0136353148 |
| 0.0076176750 | 0.0130922803 | 0.0129722950 | 0.0127865880 | 0.0128898444 | 0.0130496710 | 0.0130287132 | 0.0129994629 | 0.0135979441 |
| 0.0101569000 | 0.0130612603 | 0.0129406444 | 0.0127534340 | 0.0128553512 | 0.0130129686 | 0.0129903293 | 0.0129606957 | 0.0135832969 |
| 0.0126961250 | 0.0130527532 | 0.0129314335 | 0.0127424814 | 0.0128426350 | 0.0129976306 | 0.0129730020 | 0.0129428911 | 0.0135912746 |
| 0.0152353500 | 0.0130667037 | 0.0129446012 | 0.0127536495 | 0.0128515902 | 0.0130035346 | 0.0129765995 | 0.0129459146 | 0.0136218192 |
| 0.0177745750 | 0.0131031037 | 0.0129801328 | 0.0127869031 | 0.0128821522 | 0.0130305955 | 0.0130010254 | 0.0129696666 | 0.0136749137 |
| 0.0203137999 | 0.0131619913 | 0.0130380603 | 0.0128422519 | 0.0129342972 | 0.0130787654 | 0.0130462183 | 0.0130140823 | 0.0137505814 |
| 0.0228530249 | 0.0132434509 | 0.0131184612 | 0.0129197499 | 0.0130080421 | 0.0131480336 | 0.0131121520 | 0.0130791315 | 0.0138488858 |
| 0.0253922499 | 0.0133476122 | 0.0132214586 | 0.0130194953 | 0.0131034437 | 0.0132384255 | 0.0131988348 | 0.0131648177 | 0.0139699299 |
| 0.0279314749 | 0.0134746496 | 0.0133472201 | 0.0131416292 | 0.0132205982 | 0.0133500031 | 0.0133063093 | 0.0132711784 | 0.0141138557 |
| 0.0304706999 | 0.0136247812 | 0.0134959569 | 0.0132863355 | 0.0133596407 | 0.0134828635 | 0.0134346515 | 0.0133982839 | 0.0142808430 |
| 0.0330099249 | 0.0137982680 | 0.0136679229 | 0.0134538393 | 0.0135207442 | 0.0136371385 | 0.0135839706 | 0.0135462374 | 0.0144711094 |
| 0.0355491499 | 0.0139954129 | 0.0138634138 | 0.0136444064 | 0.0137041188 | 0.0138129942 | 0.0137544077 | 0.0137151734 | 0.0146849083 |
| 0.0380883749 | 0.0142165589 | 0.0140827656 | 0.0138583416 | 0.0139100103 | 0.0140106293 | 0.0139461355 | 0.0139052577 | 0.0149225289 |
| 0.0406275999 | 0.0144620884 | 0.0143263531 | 0.0140959883 | 0.0141386999 | 0.0142302748 | 0.0141593571 | 0.0141166858 | 0.0151842942 |
| 0.0431668249 | 0.0147324215 | 0.0145945894 | 0.0143577260 | 0.0143905023 | 0.0144721928 | 0.0143943051 | 0.0143496826 | 0.0154705602 |
| 0.0457060499 | 0.0150280144 | 0.0148879230 | 0.0146439699 | 0.0146657646 | 0.0147366750 | 0.0146512406 | 0.0146045007 | 0.0157817143 |
| 0.0482452749 | 0.0153493579 | 0.0152068375 | 0.0149551688 | 0.0149648651 | 0.0150240419 | 0.0149304515 | 0.0148814197 | 0.0161181742 |
| 0.0507844999 | 0.0156969755 | 0.0155518491 | 0.0152918035 | 0.0152882115 | 0.0153346411 | 0.0152322523 | 0.0151807449 | 0.0164803861 |
| 0.0533237249 | 0.0160714219 | 0.0159235047 | 0.0156543852 | 0.0156362397 | 0.0156688463 | 0.0155569818 | 0.0155028060 | 0.0168688231 |
| 0.0558629499 | 0.0164732805 | 0.0163223808 | 0.0160434536 | 0.0160094120 | 0.0160270555 | 0.0159050021 | 0.0158479555 | 0.0172839840 |
| 0.0584021749 | 0.0169031623 | 0.0167490807 | 0.0164595752 | 0.0164082155 | 0.0164096897 | 0.0162766976 | 0.0162165679 | 0.0177263908 |
| 0.0609413998 | 0.0173617031 | 0.0172042329 | 0.0169033410 | 0.0168331603 | 0.0168171913 | 0.0166724727 | 0.0166090377 | 0.0181965878 |
| 0.0634806248 | 0.0178495617 | 0.0176884891 | 0.0173753650 | 0.0172847776 | 0.0172500223 | 0.0170927510 | 0.0170257780 | 0.0186951390 |
| 0.0660198498 | 0.0183674177 | 0.0182025216 | 0.0178762815 | 0.0177636182 | 0.0177086629 | 0.0175379733 | 0.0174672191 | 0.0192226265 |
| 0.0685590748 | 0.0189159694 | 0.0187470215 | 0.0184067436 | 0.0182702500 | 0.0181936095 | 0.0180085962 | 0.0179338069 | 0.0197796489 |
| 0.0710982998 | 0.0194959312 | 0.0193226964 | 0.0189674208 | 0.0188052568 | 0.0187053732 | 0.0185050901 | 0.0184260011 | 0.0203668188 |
| 0.0736375248 | 0.0201080319 | 0.0199302679 | 0.0195589965 | 0.0193692355 | 0.0192444777 | 0.0190279379 | 0.0189442738 | 0.0209847608 |
| 0.0761767498 | 0.0207530116 | 0.0205704696 | 0.0201821664 | 0.0199627949 | 0.0198114577 | 0.0195776332 | 0.0194891073 | 0.0216341099 |
| 0.0787159748 | 0.0214316199 | 0.0212440443 | 0.0208376355 | 0.0205865530 | 0.0204068571 | 0.0201546783 | 0.0200609930 | 0.0223155090 |
| 0.0812551998 | 0.0221446134 | 0.0219517422 | 0.0215261165 | 0.0212411352 | 0.0210312268 | 0.0207595827 | 0.0206604293 | 0.0230296072 |
| 0.0837944248 | 0.0228927533 | 0.0226943179 | 0.0222483270 | 0.0219271722 | 0.0216851232 | 0.0213928611 | 0.0212879199 | 0.0237770572 |
| 0.0863336498 | 0.0236768028 | 0.0234725286 | 0.0230049877 | 0.0226452982 | 0.0223691059 | 0.0220550320 | 0.0219439719 | 0.0245585137 |
| 0.0888728748 | 0.0244975249 | 0.0242871314 | 0.0237968193 | 0.0233961483 | 0.0230837363 | 0.0227466152 | 0.0226290944 | 0.0253746310 |
| 0.0914120998 | 0.0253556800 | 0.0251388809 | 0.0246245413 | 0.0241803566 | 0.0238295751 | 0.0234681308 | 0.0233437965 | 0.0262260608 |
| 0.0939513248 | 0.0262520235 | 0.0260285268 | 0.0254888686 | 0.0249985544 | 0.0246071811 | 0.0242200969 | 0.0240885855 | 0.0271134504 |
| 0.0964905498 | 0.0271873034 | 0.0269568118 | 0.0263905100 | 0.0258513678 | 0.0254171086 | 0.0250030280 | 0.0248639651 | 0.0280374405 |
| 0.0990297747 | 0.0281622579 | 0.0279244691 | 0.0273301656 | 0.0267394158 | 0.0262599061 | 0.0258174331 | 0.0256704340 | 0.0289986631 |
| 0.1015689997 | 0.0291776133 | 0.0289322199 | 0.0283085247 | 0.0276633081 | 0.0271361142 | 0.0266638142 | 0.0265084837 | 0.0299977395 |
| 0.1041082247 | 0.0302340814 | 0.0299807715 | 0.0293262637 | 0.0286236435 | 0.0280462637 | 0.0275426643 | 0.0273785972 | 0.0310352783 |
| 0.1066474497 | 0.0313323576 | 0.0310708150 | 0.0303840435 | 0.0296210075 | 0.0289908741 | 0.0284544659 | 0.0282812471 | 0.0321118734 |
| 0.1091866747 | 0.0324731184 | 0.0322030227 | 0.0314825079 | 0.0306559707 | 0.0299704515 | 0.0293996894 | 0.0292168942 | 0.0332281020 |
| 0.1117258997 | 0.0336570197 | 0.0333780467 | 0.0326222813 | 0.0317290867 | 0.0309854872 | 0.0303787910 | 0.0301859855 | 0.0343845231 |
| 0.1142651247 | 0.0348846941 | 0.0345965161 | 0.0338039669 | 0.0328408904 | 0.0320364557 | 0.0313922119 | 0.0311889530 | 0.0355816750 |
| 0.1168043497 | 0.0361567494 | 0.0358590354 | 0.0350281443 | 0.0339918962 | 0.0331238134 | 0.0324403758 | 0.0322262121 | 0.0368200742 |
| 0.1193435747 | 0.0374737666 | 0.0371661827 | 0.0362953682 | 0.0351825961 | 0.0342479967 | 0.0335236884 | 0.0332981599 | 0.0381002132 |
| 0.1218827997 | 0.0388362976 | 0.0385185072 | 0.0376061660 | 0.0364134585 | 0.0354094210 | 0.0346425351 | 0.0344051741 | 0.0394225593 |
| 0.1244220247 | 0.0402448638 | 0.0399165281 | 0.0389610365 | 0.0376849261 | 0.0366084784 | 0.0357972802 | 0.0355476114 | 0.0407875523 |
| 0.1269612497 | 0.0416999543 | 0.0413607325 | 0.0403604481 | 0.0389974144 | 0.0378455370 | 0.0369882651 | 0.0367258062 | 0.0421956037 |
| 0.1295004747 | 0.0432020241 | 0.0428515736 | 0.0418048370 | 0.0403513107 | 0.0391209393 | 0.0382158075 | 0.0379400696 | 0.0436470949 |
| 0.1320396997 | 0.0447514927 | 0.0443894697 | 0.0432946060 | 0.0417469721 | 0.0404350009 | 0.0394801998 | 0.0391906876 | 0.0451423758 |
| 0.1345789247 | 0.0463487425 | 0.0459748020 | 0.0448301226 | 0.0431847246 | 0.0417880094 | 0.0407817081 | 0.0404779207 | 0.0466817636 |
| 0.1371181497 | 0.0479941175 | 0.0476079140 | 0.0464117184 | 0.0446648619 | 0.0431802231 | 0.0421205710 | 0.0418020023 | 0.0482655414 |
| 0.1396573746 | 0.0496879219 | 0.0492891095 | 0.0480396871 | 0.0461876437 | 0.0446118698 | 0.0434969987 | 0.0431631380 | 0.0498939573 |
| 0.1421965996 | 0.0514304191 | 0.0510186518 | 0.0497142836 | 0.0477532952 | 0.0460831464 | 0.0449111722 | 0.0445615043 | 0.0515672233 |
| 0.1447358246 | 0.0532218303 | 0.0527967624 | 0.0514357230 | 0.0493620060 | 0.0475942174 | 0.0463632419 | 0.0459972482 | 0.0532855141 |
| 0.1472750496 | 0.0550623337 | 0.0546236203 | 0.0532041796 | 0.0510139288 | 0.0491452140 | 0.0478533274 | 0.0474704859 | 0.0550489662 |
| 0.1498142746 | 0.0569520636 | 0.0564993608 | 0.0550197861 | 0.0527091790 | 0.0507362340 | 0.0493815164 | 0.0489813026 | 0.0568576777 |
| 0.1523534996 | 0.0588911095 | 0.0584240746 | 0.0568826322 | 0.0544478339 | 0.0523673403 | 0.0509478641 | 0.0505297514 | 0.0587117066 |
| 0.1548927246 | 0.0608795154 | 0.0603978076 | 0.0587927649 | 0.0562299316 | 0.0540385609 | 0.0525523926 | 0.0521158530 | 0.0606110710 |
| 0.1574319496 | 0.0629172793 | 0.0624205595 | 0.0607501870 | 0.0580554711 | 0.0557498879 | 0.0541950906 | 0.0537395951 | 0.0625557482 |
| 0.1599711746 | 0.0650043526 | 0.0644922843 | 0.0627548572 | 0.0599244114 | 0.0575012776 | 0.0558759127 | 0.0554009317 | 0.0645456743 |
| 0.1625103996 | 0.0671406395 | 0.0666128889 | 0.0648066894 | 0.0618366711 | 0.0592926495 | 0.0575947791 | 0.0570997835 | 0.0665807437 |
| 0.1650496246 | 0.0693259972 | 0.0687822333 | 0.0669055522 | 0.0637921285 | 0.0611238865 | 0.0593515753 | 0.0588360367 | 0.0686608092 |
| 0.1675888496 | 0.0715602354 | 0.0710001306 | 0.0690512693 | 0.0657906207 | 0.0629948344 | 0.0611461522 | 0.0606095435 | 0.0707856815 |
| 0.1701280746 | 0.0738431159 | 0.0732663464 | 0.0712436187 | 0.0678319442 | 0.0649053020 | 0.0629783255 | 0.0624201214 | 0.0729551290 |
| 0.1726672996 | 0.0761743531 | 0.0755805990 | 0.0734823332 | 0.0699158542 | 0.0668550608 | 0.0648478760 | 0.0642675538 | 0.0751688781 |
| 0.1752065246 | 0.0785536139 | 0.0779425595 | 0.0757671001 | 0.0720420651 | 0.0688438452 | 0.0667545491 | 0.0661515893 | 0.0774266132 |
| 0.1777457496 | 0.0809805178 | 0.0803518521 | 0.0780975616 | 0.0742102504 | 0.0708713525 | 0.0686980558 | 0.0680719422 | 0.0797279767 |
| 0.1802849745 | 0.0834546373 | 0.0828080540 | 0.0804733147 | 0.0764200432 | 0.0729372430 | 0.0706780718 | 0.0700282927 | 0.0820725693 |
| 0.1828241995 | 0.0859754982 | 0.0853106961 | 0.0828939121 | 0.0786710358 | 0.0750411405 | 0.0726942386 | 0.0720202868 | 0.0844599505 |
| 0.1853634245 | 0.0885425798 | 0.0878592635 | 0.0853588620 | 0.0809627810 | 0.0771826324 | 0.0747461631 | 0.0740475368 | 0.0868896386 |
| 0.1879026495 | 0.0911553161 | 0.0904531956 | 0.0878676292 | 0.0832947916 | 0.0793612701 | 0.0768334184 | 0.0761096217 | 0.0893611116 |
| 0.1904418745 | 0.0938130957 | 0.0930918873 | 0.0904196350 | 0.0856665416 | 0.0815765696 | 0.0789555441 | 0.0782060874 | 0.0918738075 |
| 0.1929810995 | 0.0965152631 | 0.0957746890 | 0.0930142585 | 0.0880774665 | 0.0838280118 | 0.0811120467 | 0.0803364473 | 0.0944271248 |
| 0.1955203245 | 0.0992611189 | 0.0985009081 | 0.0956508369 | 0.0905269638 | 0.0861150431 | 0.0833024003 | 0.0825001828 | 0.0970204237 |
| 0.1980595495 | 0.1020499213 | 0.1012698094 | 0.0983286666 | 0.0930143940 | 0.0884370762 | 0.0855260470 | 0.0846967441 | 0.0996530262 |
| 0.2005987745 | 0.1048808865 | 0.1040806160 | 0.1010470039 | 0.0955390814 | 0.0907934909 | 0.0877823975 | 0.0869255502 | 0.1023242174 |
| 0.2031379995 | 0.1077531898 | 0.1069325106 | 0.1038050658 | 0.0981003145 | 0.0931836342 | 0.0900708322 | 0.0891859904 | 0.1050332460 |
| 0.2056772245 | 0.1106659671 | 0.1098246364 | 0.1066020314 | 0.1006973473 | 0.0956068220 | 0.0923907016 | 0.0914774246 | 0.1077793256 |
| 0.2082164495 | 0.1136183152 | 0.1127560980 | 0.1094370427 | 0.1033294002 | 0.0980623394 | 0.0947413272 | 0.0937991840 | 0.1105616354 |
| 0.2107556745 | 0.1166092940 | 0.1157259628 | 0.1123092056 | 0.1059956609 | 0.1005494415 | 0.0971220024 | 0.0961505723 | 0.1133793215 |
| 0.2132948995 | 0.1196379267 | 0.1187332623 | 0.1152175914 | 0.1086952854 | 0.1030673548 | 0.0995319931 | 0.0985308660 | 0.1162314977 |
| 0.2158341245 | 0.1227032020 | 0.1217769932 | 0.1181612378 | 0.1114273991 | 0.1056152779 | 0.1019705391 | 0.1009393161 | 0.1191172468 |
| 0.2183733494 | 0.1258040747 | 0.1248561188 | 0.1211391503 | 0.1141910984 | 0.1081923824 | 0.1044368548 | 0.1033751484 | 0.1220356216 |
| 0.2209125744 | 0.1289394675 | 0.1279695703 | 0.1241503031 | 0.1169854509 | 0.1107978145 | 0.1069301301 | 0.1058375646 | 0.1249856466 |
| 0.2234517994 | 0.1321082725 | 0.1311162483 | 0.1271936413 | 0.1198094976 | 0.1134306953 | 0.1094495318 | 0.1083257436 | 0.1279663186 |
| 0.2259910244 | 0.1353093521 | 0.1342950242 | 0.1302680812 | 0.1226622536 | 0.1160901226 | 0.1119942040 | 0.1108388422 | 0.1309766084 |
| 0.2285302494 | 0.1385415413 | 0.1375047416 | 0.1333725127 | 0.1255427095 | 0.1187751717 | 0.1145632701 | 0.1133759966 | 0.1340154619 |
| 0.2310694744 | 0.1418036484 | 0.1407442181 | 0.1365058000 | 0.1284498327 | 0.1214848969 | 0.1171558330 | 0.1159363227 | 0.1370818017 |
| 0.2336086994 | 0.1450944570 | 0.1440122463 | 0.1396667835 | 0.1313825687 | 0.1242183322 | 0.1197709769 | 0.1185189183 | 0.1401745280 |
| 0.2361479244 | 0.1484127276 | 0.1473075960 | 0.1428542813 | 0.1343398425 | 0.1269744929 | 0.1224077679 | 0.1211228633 | 0.1432925206 |
| 0.2386871494 | 0.1517571989 | 0.1506290150 | 0.1460670904 | 0.1373205598 | 0.1297523767 | 0.1250652558 | 0.1237472212 | 0.1464346397 |
| 0.2412263744 | 0.1551265896 | 0.1539752316 | 0.1493039882 | 0.1403236086 | 0.1325509650 | 0.1277424746 | 0.1263910404 | 0.1495997276 |
| 0.2437655994 | 0.1585196000 | 0.1573449553 | 0.1525637347 | 0.1433478605 | 0.1353692241 | 0.1304384443 | 0.1290533551 | 0.1527866102 |
| 0.2463048244 | 0.1619349133 | 0.1607368789 | 0.1558450730 | 0.1463921718 | 0.1382061066 | 0.1331521714 | 0.1317331865 | 0.1559940981 |
| 0.2488440494 | 0.1653711978 | 0.1641496802 | 0.1591467318 | 0.1494553854 | 0.1410605522 | 0.1358826508 | 0.1344295443 | 0.1592209883 |
| 0.2513832744 | 0.1688271080 | 0.1675820232 | 0.1624674264 | 0.1525363319 | 0.1439314896 | 0.1386288666 | 0.1371414274 | 0.1624660657 |
| 0.2539224994 | 0.1723012863 | 0.1710325599 | 0.1658058602 | 0.1556338308 | 0.1468178374 | 0.1413897933 | 0.1398678255 | 0.1657281040 |
| 0.2564617244 | 0.1757923649 | 0.1744999320 | 0.1691607266 | 0.1587466924 | 0.1497185056 | 0.1441643972 | 0.1426077199 | 0.1690058677 |
| 0.2590009493 | 0.1792989670 | 0.1779827723 | 0.1725307104 | 0.1618737187 | 0.1526323963 | 0.1469516373 | 0.1453600849 | 0.1722981135 |
| 0.2615401743 | 0.1828197087 | 0.1814797064 | 0.1759144889 | 0.1650137050 | 0.1555584057 | 0.1497504667 | 0.1481238890 | 0.1756035911 |
| 0.2640793993 | 0.1863532003 | 0.1849893543 | 0.1793107341 | 0.1681654413 | 0.1584954249 | 0.1525598337 | 0.1508980959 | 0.1789210453 |
| 0.2666186243 | 0.1898980483 | 0.1885103318 | 0.1827181137 | 0.1713277134 | 0.1614423411 | 0.1553786830 | 0.1536816658 | 0.1822492169 |
| 0.2691578493 | 0.1934528562 | 0.1920412520 | 0.1861352926 | 0.1744993048 | 0.1643980389 | 0.1582059568 | 0.1564735563 | 0.1855868443 |
| 0.2716970743 | 0.1970162268 | 0.1955807270 | 0.1895609345 | 0.1776789970 | 0.1673614018 | 0.1610405960 | 0.1592727237 | 0.1889326647 |
| 0.2742362993 | 0.2005867632 | 0.1991273693 | 0.1929937035 | 0.1808655720 | 0.1703313128 | 0.1638815411 | 0.1620781241 | 0.1922854154 |
| 0.2767755243 | 0.2041630703 | 0.2026797931 | 0.1964322649 | 0.1840578127 | 0.1733066560 | 0.1667277335 | 0.1648887143 | 0.1956438356 |
| 0.2793147493 | 0.2077437565 | 0.2062366160 | 0.1998752871 | 0.1872545043 | 0.1762863175 | 0.1695781167 | 0.1677034533 | 0.1990066666 |
| 0.2818539743 | 0.2113274347 | 0.2097964602 | 0.2033214430 | 0.1904544359 | 0.1792691866 | 0.1724316369 | 0.1705213026 | 0.2023726543 |
| 0.2843931993 | 0.2149127240 | 0.2133579538 | 0.2067694107 | 0.1936564013 | 0.1822541571 | 0.1752872447 | 0.1733412280 | 0.2057405493 |
| 0.2869324243 | 0.2184982511 | 0.2169197323 | 0.2102178755 | 0.1968592003 | 0.1852401279 | 0.1781438952 | 0.1761622000 | 0.2091091091 |
| 0.2894716493 | 0.2220826511 | 0.2204804398 | 0.2136655307 | 0.2000616399 | 0.1882260044 | 0.1810005500 | 0.1789831950 | 0.2124770982 |
| 0.2920108743 | 0.2256645694 | 0.2240387303 | 0.2171110788 | 0.2032625353 | 0.1912106994 | 0.1838561774 | 0.1818031965 | 0.2158432902 |
| 0.2945500993 | 0.2292426622 | 0.2275932690 | 0.2205532331 | 0.2064607110 | 0.1941931341 | 0.1867097535 | 0.1846211954 | 0.2192064682 |
| 0.2970893242 | 0.2328155985 | 0.2311427330 | 0.2239907183 | 0.2096550018 | 0.1971722388 | 0.1895602633 | 0.1874361913 | 0.2225654263 |
| 0.2996285492 | 0.2363820607 | 0.2346858133 | 0.2274222719 | 0.2128442538 | 0.2001469543 | 0.1924067015 | 0.1902471936 | 0.2259189702 |
| 0.3021677742 | 0.2399407456 | 0.2382212151 | 0.2308466453 | 0.2160273256 | 0.2031162325 | 0.1952480732 | 0.1930532216 | 0.2292659186 |
| 0.3047069992 | 0.2434903661 | 0.2417476591 | 0.2342626046 | 0.2192030888 | 0.2060790370 | 0.1980833946 | 0.1958533059 | 0.2326051039 |
| 0.3072462242 | 0.2470296513 | 0.2452638827 | 0.2376689318 | 0.2223704292 | 0.2090343445 | 0.2009116943 | 0.1986464888 | 0.2359353731 |
| 0.3097854492 | 0.2505573485 | 0.2487686408 | 0.2410644254 | 0.2255282477 | 0.2119811451 | 0.2037320133 | 0.2014318255 | 0.2392555888 |
| 0.3123246742 | 0.2540722233 | 0.2522607067 | 0.2444479018 | 0.2286754607 | 0.2149184432 | 0.2065434065 | 0.2042083842 | 0.2425646298 |
| 0.3148638992 | 0.2575730607 | 0.2557388731 | 0.2478181956 | 0.2318110015 | 0.2178452581 | 0.2093449427 | 0.2069752471 | 0.2458613922 |
| 0.3174031242 | 0.2610586662 | 0.2592019528 | 0.2511741610 | 0.2349338205 | 0.2207606251 | 0.2121357056 | 0.2097315110 | 0.2491447900 |
| 0.3199423492 | 0.2645278663 | 0.2626487795 | 0.2545146718 | 0.2380428861 | 0.2236635956 | 0.2149147944 | 0.2124762881 | 0.2524137556 |
| 0.3224815742 | 0.2679795095 | 0.2660782087 | 0.2578386230 | 0.2411371854 | 0.2265532380 | 0.2176813240 | 0.2152087059 | 0.2556672409 |
| 0.3250207992 | 0.2714124667 | 0.2694891183 | 0.2611449307 | 0.2442157247 | 0.2294286382 | 0.2204344262 | 0.2179279085 | 0.2589042176 |
| 0.3275600242 | 0.2748256321 | 0.2728804090 | 0.2644325332 | 0.2472775304 | 0.2322889002 | 0.2231732497 | 0.2206330569 | 0.2621236778 |
| 0.3300992492 | 0.2782179236 | 0.2762510053 | 0.2677003915 | 0.2503216490 | 0.2351331464 | 0.2258969607 | 0.2233233289 | 0.2653246348 |
| 0.3326384742 | 0.2815882835 | 0.2795998561 | 0.2709474896 | 0.2533471480 | 0.2379605183 | 0.2286047434 | 0.2259979204 | 0.2685061233 |
| 0.3351776992 | 0.2849356793 | 0.2829259347 | 0.2741728354 | 0.2563531164 | 0.2407701769 | 0.2312958003 | 0.2286560452 | 0.2716672002 |
| 0.3377169241 | 0.2882591034 | 0.2862282397 | 0.2773754610 | 0.2593386650 | 0.2435613029 | 0.2339693527 | 0.2312969357 | 0.2748069445 |
| 0.3402561491 | 0.2915575743 | 0.2895057955 | 0.2805544228 | 0.2623029265 | 0.2463330973 | 0.2366246410 | 0.2339198428 | 0.2779244585 |
| 0.3427953741 | 0.2948301368 | 0.2927576524 | 0.2837088026 | 0.2652450564 | 0.2490847816 | 0.2392609250 | 0.2365240367 | 0.2810188675 |
| 0.3453345991 | 0.2980758620 | 0.2959828869 | 0.2868377070 | 0.2681642331 | 0.2518155979 | 0.2418774842 | 0.2391088072 | 0.2840893202 |
| 0.3478738241 | 0.3012938481 | 0.2991806026 | 0.2899402687 | 0.2710596580 | 0.2545248096 | 0.2444736179 | 0.2416734632 | 0.2871349893 |
| 0.3504130491 | 0.3044832203 | 0.3023499297 | 0.2930156460 | 0.2739305559 | 0.2572117015 | 0.2470486456 | 0.2442173339 | 0.2901550714 |
| 0.3529522741 | 0.3076431311 | 0.3054900257 | 0.2960630234 | 0.2767761752 | 0.2598755795 | 0.2496019073 | 0.2467397683 | 0.2931487876 |
| 0.3554914991 | 0.3107727608 | 0.3086000755 | 0.2990816115 | 0.2795957882 | 0.2625157716 | 0.2521327632 | 0.2492401357 | 0.2961153833 |
| 0.3580307241 | 0.3138713171 | 0.3116792913 | 0.3020706476 | 0.2823886908 | 0.2651316272 | 0.2546405943 | 0.2517178255 | 0.2990541284 |
| 0.3605699491 | 0.3169380357 | 0.3147269134 | 0.3050293954 | 0.2851542034 | 0.2677225178 | 0.2571248024 | 0.2541722478 | 0.3019643176 |
| 0.3631091741 | 0.3199721801 | 0.3177422093 | 0.3079571453 | 0.2878916702 | 0.2702878370 | 0.2595848100 | 0.2566028329 | 0.3048452705 |
| 0.3656483991 | 0.3229730420 | 0.3207244745 | 0.3108532142 | 0.2906004594 | 0.2728270002 | 0.2620200603 | 0.2590090319 | 0.3076963314 |
| 0.3681876241 | 0.3259399406 | 0.3236730323 | 0.3137169460 | 0.2932799638 | 0.2753394449 | 0.2644300176 | 0.2613903162 | 0.3105168695 |
| 0.3707268491 | 0.3288722234 | 0.3265872337 | 0.3165477109 | 0.2959296002 | 0.2778246308 | 0.2668141670 | 0.2637461780 | 0.3133062788 |
| 0.3732660741 | 0.3317692655 | 0.3294664573 | 0.3193449061 | 0.2985488093 | 0.2802820394 | 0.2691720145 | 0.2660761299 | 0.3160639781 |
| 0.3758052990 | 0.3346304700 | 0.3323101093 | 0.3221079551 | 0.3011370562 | 0.2827111743 | 0.2715030866 | 0.2683797049 | 0.3187894110 |
| 0.3783445240 | 0.3374552676 | 0.3351176236 | 0.3248363079 | 0.3036938297 | 0.2851115609 | 0.2738069310 | 0.2706564567 | 0.3214820457 |
| 0.3808837490 | 0.3402431163 | 0.3378884613 | 0.3275294408 | 0.3062186428 | 0.2874827466 | 0.2760831156 | 0.2729059589 | 0.3241413749 |
| 0.3834229740 | 0.3429935019 | 0.3406221105 | 0.3301868562 | 0.3087110320 | 0.2898243001 | 0.2783312291 | 0.2751278058 | 0.3267669159 |
| 0.3859621990 | 0.3457059368 | 0.3433180866 | 0.3328080827 | 0.3111705573 | 0.2921358120 | 0.2805508804 | 0.2773216113 | 0.3293582098 |
| 0.3885014240 | 0.3483799608 | 0.3459759316 | 0.3353926744 | 0.3135968023 | 0.2944168940 | 0.2827416988 | 0.2794870096 | 0.3319148222 |
| 0.3910406490 | 0.3510151401 | 0.3485952140 | 0.3379402110 | 0.3159893737 | 0.2966671790 | 0.2849033335 | 0.2816236545 | 0.3344363422 |
| 0.3935798740 | 0.3536110675 | 0.3511755286 | 0.3404502974 | 0.3183479010 | 0.2988863211 | 0.2870354536 | 0.2837312194 | 0.3369223826 |
| 0.3961190990 | 0.3561673617 | 0.3537164962 | 0.3429225638 | 0.3206720367 | 0.3010739948 | 0.2891377480 | 0.2858093970 | 0.3393725796 |
| 0.3986583240 | 0.3586836674 | 0.3562177630 | 0.3453566646 | 0.3229614555 | 0.3032298954 | 0.2912099249 | 0.2878578993 | 0.3417865924 |
| 0.4011975490 | 0.3611596547 | 0.3586790008 | 0.3477522791 | 0.3252158544 | 0.3053537385 | 0.2932517118 | 0.2898764571 | 0.3441641031 |
| 0.4037367740 | 0.3635950189 | 0.3610999064 | 0.3501091104 | 0.3274349524 | 0.3074452594 | 0.2952628550 | 0.2918648200 | 0.3465048161 |
| 0.4062759990 | 0.3659894799 | 0.3634802010 | 0.3524268852 | 0.3296184899 | 0.3095042134 | 0.2972431197 | 0.2938227559 | 0.3488084583 |
| 0.4088152240 | 0.3683427822 | 0.3658196303 | 0.3547053539 | 0.3317662285 | 0.3115303752 | 0.2991922895 | 0.2957500510 | 0.3510747782 |
| 0.4113544490 | 0.3706546942 | 0.3681179635 | 0.3569442896 | 0.3338779510 | 0.3135235387 | 0.3011101660 | 0.2976465092 | 0.3533035458 |
| 0.4138936740 | 0.3729250079 | 0.3703749935 | 0.3591434881 | 0.3359534605 | 0.3154835163 | 0.3029965688 | 0.2995119521 | 0.3554945525 |
| 0.4164328989 | 0.3751535383 | 0.3725905362 | 0.3613027674 | 0.3379925805 | 0.3174101394 | 0.3048513349 | 0.3013462187 | 0.3576476103 |
| 0.4189721239 | 0.3773401235 | 0.3747644302 | 0.3634219672 | 0.3399951542 | 0.3193032571 | 0.3066743187 | 0.3031491647 | 0.3597625517 |
| 0.4215113489 | 0.3794846235 | 0.3768965359 | 0.3655009488 | 0.3419610444 | 0.3211627365 | 0.3084653913 | 0.3049206625 | 0.3618392291 |
| 0.4240505739 | 0.3815869203 | 0.3789867357 | 0.3675395941 | 0.3438901329 | 0.3229884624 | 0.3102244405 | 0.3066606011 | 0.3638775147 |
| 0.4265897989 | 0.3836469173 | 0.3810349332 | 0.3695378057 | 0.3457823202 | 0.3247803364 | 0.3119513703 | 0.3083688853 | 0.3658772998 |
| 0.4291290239 | 0.3856645389 | 0.3830410527 | 0.3714955062 | 0.3476375251 | 0.3265382769 | 0.3136461005 | 0.3100454354 | 0.3678384948 |
| 0.4316682489 | 0.3876397296 | 0.3850050388 | 0.3734126379 | 0.3494556843 | 0.3282622188 | 0.3153085667 | 0.3116901873 | 0.3697610281 |
| 0.4342074739 | 0.3895724541 | 0.3869268562 | 0.3752891619 | 0.3512367520 | 0.3299521129 | 0.3169387193 | 0.3133030917 | 0.3716448464 |
| 0.4367466989 | 0.3914626966 | 0.3888064885 | 0.3771250584 | 0.3529806994 | 0.3316079258 | 0.3185365239 | 0.3148841141 | 0.3734899138 |
| 0.4392859239 | 0.3933104600 | 0.3906439385 | 0.3789203254 | 0.3546875142 | 0.3332296391 | 0.3201019603 | 0.3164332339 | 0.3752962117 |
| 0.4418251489 | 0.3951157661 | 0.3924392272 | 0.3806749790 | 0.3563572006 | 0.3348172495 | 0.3216350225 | 0.3179504447 | 0.3770637380 |
| 0.4443643739 | 0.3968786541 | 0.3941923935 | 0.3823890523 | 0.3579897782 | 0.3363707679 | 0.3231357182 | 0.3194357536 | 0.3787925071 |
| 0.4469035989 | 0.3985991813 | 0.3959034937 | 0.3840625953 | 0.3595852824 | 0.3378902195 | 0.3246040686 | 0.3208891807 | 0.3804825489 |
| 0.4494428239 | 0.4002774215 | 0.3975726011 | 0.3856956743 | 0.3611437632 | 0.3393756432 | 0.3260401077 | 0.3223107591 | 0.3821339090 |
| 0.4519820489 | 0.4019134652 | 0.3991998052 | 0.3872883712 | 0.3626652850 | 0.3408270910 | 0.3274438822 | 0.3237005342 | 0.3837466478 |
| 0.4545212739 | 0.4035074188 | 0.4007852113 | 0.3888407837 | 0.3641499267 | 0.3422446280 | 0.3288154512 | 0.3250585637 | 0.3853208402 |
| 0.4570604988 | 0.4050594042 | 0.4023289404 | 0.3903530239 | 0.3655977803 | 0.3436283317 | 0.3301548853 | 0.3263849167 | 0.3868565753 |
| 0.4595997238 | 0.4065695583 | 0.4038311282 | 0.3918252186 | 0.3670089514 | 0.3449782918 | 0.3314622670 | 0.3276796739 | 0.3883539557 |
| 0.4621389488 | 0.4080380326 | 0.4052919247 | 0.3932575084 | 0.3683835581 | 0.3462946097 | 0.3327376899 | 0.3289429268 | 0.3898130972 |
| 0.4646781738 | 0.4094649923 | 0.4067114941 | 0.3946500475 | 0.3697217310 | 0.3475773981 | 0.3339812581 | 0.3301747777 | 0.3912341284 |
| 0.4672173988 | 0.4108506163 | 0.4080900139 | 0.3960030029 | 0.3710236127 | 0.3488267808 | 0.3351930863 | 0.3313753391 | 0.3926171903 |
| 0.4697566238 | 0.4121950964 | 0.4094276743 | 0.3973165541 | 0.3722893570 | 0.3500428920 | 0.3363732993 | 0.3325447333 | 0.3939624357 |
| 0.4722958488 | 0.4134986372 | 0.4107246783 | 0.3985908928 | 0.3735191291 | 0.3512258763 | 0.3375220316 | 0.3336830924 | 0.3952700289 |
| 0.4748350738 | 0.4147614551 | 0.4119812408 | 0.3998262224 | 0.3747131046 | 0.3523758879 | 0.3386394269 | 0.3347905574 | 0.3965401453 |
| 0.4773742988 | 0.4159837781 | 0.4131975881 | 0.4010227571 | 0.3758714696 | 0.3534930905 | 0.3397256379 | 0.3358672783 | 0.3977729709 |
| 0.4799135238 | 0.4171658453 | 0.4143739576 | 0.4021807220 | 0.3769944199 | 0.3545776571 | 0.3407808261 | 0.3369134137 | 0.3989687018 |
| 0.4824527488 | 0.4183079066 | 0.4155105974 | 0.4033003527 | 0.3780821609 | 0.3556297692 | 0.3418051611 | 0.3379291304 | 0.4001275442 |
| 0.4849919738 | 0.4194102221 | 0.4166077656 | 0.4043818941 | 0.3791349068 | 0.3566496167 | 0.3427988205 | 0.3389146027 | 0.4012497135 |
| 0.4875311988 | 0.4204730614 | 0.4176657301 | 0.4054256010 | 0.3801528808 | 0.3576373976 | 0.3437619895 | 0.3398700127 | 0.4023354341 |
| 0.4900704238 | 0.4214967036 | 0.4186847680 | 0.4064317368 | 0.3811363141 | 0.3585933173 | 0.3446948607 | 0.3407955497 | 0.4033849391 |
| 0.4926096488 | 0.4224814366 | 0.4196651651 | 0.4074005737 | 0.3820854460 | 0.3595175888 | 0.3455976334 | 0.3416914098 | 0.4043984700 |
| 0.4951488737 | 0.4234275568 | 0.4206072158 | 0.4083323919 | 0.3830005233 | 0.3604104318 | 0.3464705139 | 0.3425577954 | 0.4053762757 |
| 0.4976880987 | 0.4243353687 | 0.4215112224 | 0.4092274794 | 0.3838817999 | 0.3612720730 | 0.3473137145 | 0.3433949155 | 0.4063186131 |
| 0.5002273237 | 0.4252051841 | 0.4223774948 | 0.4100861316 | 0.3847295365 | 0.3621027449 | 0.3481274535 | 0.3442029848 | 0.4072257459 |
| 0.5027665487 | 0.4260373222 | 0.4232063498 | 0.4109086507 | 0.3855440005 | 0.3629026865 | 0.3489119551 | 0.3449822237 | 0.4080979445 |
| 0.5053057737 | 0.4268321091 | 0.4239981114 | 0.4116953456 | 0.3863254651 | 0.3636721421 | 0.3496674488 | 0.3457328579 | 0.4089354860 |
| 0.5078449987 | 0.4275898770 | 0.4247531096 | 0.4124465313 | 0.3870742094 | 0.3644113615 | 0.3503941692 | 0.3464551181 | 0.4097386534 |
| 0.5103842237 | 0.4283109645 | 0.4254716805 | 0.4131625288 | 0.3877905179 | 0.3651205995 | 0.3510923558 | 0.3471492397 | 0.4105077353 |
| 0.5129234487 | 0.4289957156 | 0.4261541660 | 0.4138436643 | 0.3884746804 | 0.3658001158 | 0.3517622523 | 0.3478154629 | 0.4112430257 |
| 0.5154626737 | 0.4296444797 | 0.4268009130 | 0.4144902695 | 0.3891269913 | 0.3664501743 | 0.3524041072 | 0.3484540317 | 0.4119448240 |
| 0.5180018987 | 0.4302576109 | 0.4274122735 | 0.4151026804 | 0.3897477495 | 0.3670710433 | 0.3530181726 | 0.3490651943 | 0.4126134338 |
| 0.5205411237 | 0.4308354683 | 0.4279886039 | 0.4156812380 | 0.3903372582 | 0.3676629950 | 0.3536047044 | 0.3496492024 | 0.4132491636 |
| 0.5230803487 | 0.4313784148 | 0.4285302648 | 0.4162262870 | 0.3908958244 | 0.3682263052 | 0.3541639620 | 0.3502063113 | 0.4138523258 |
| 0.5256195737 | 0.4318868176 | 0.4290376210 | 0.4167381760 | 0.3914237586 | 0.3687612529 | 0.3546962081 | 0.3507367794 | 0.4144232366 |
| 0.5281587987 | 0.4323610471 | 0.4295110405 | 0.4172172573 | 0.3919213749 | 0.3692681205 | 0.3552017084 | 0.3512408680 | 0.4149622158 |
| 0.5306980237 | 0.4328014773 | 0.4299508948 | 0.4176638861 | 0.3923889902 | 0.3697471931 | 0.3556807311 | 0.3517188412 | 0.4154695865 |
| 0.5332372487 | 0.4332084851 | 0.4303575581 | 0.4180784207 | 0.3928269243 | 0.3701987584 | 0.3561335471 | 0.3521709654 | 0.4159456748 |
| 0.5357764736 | 0.4335824499 | 0.4307314076 | 0.4184612219 | 0.3932354994 | 0.3706231066 | 0.3565604296 | 0.3525975096 | 0.4163908094 |
| 0.5383156986 | 0.4339237537 | 0.4310728226 | 0.4188126530 | 0.3936150402 | 0.3710205299 | 0.3569616538 | 0.3529987444 | 0.4168053216 |
| 0.5408549236 | 0.4342327804 | 0.4313821846 | 0.4191330792 | 0.3939658730 | 0.3713913226 | 0.3573374969 | 0.3533749427 | 0.4171895448 |
| 0.5433941486 | 0.4345099159 | 0.4316598769 | 0.4194228676 | 0.3942883264 | 0.3717357806 | 0.3576882374 | 0.3537263787 | 0.4175438145 |
| 0.5459333736 | 0.4347555476 | 0.4319062844 | 0.4196823869 | 0.3945827303 | 0.3720542013 | 0.3580141557 | 0.3540533282 | 0.4178684679 |
| 0.5484725986 | 0.4349700642 | 0.4321217932 | 0.4199120070 | 0.3948494157 | 0.3723468835 | 0.3583155331 | 0.3543560681 | 0.4181638436 |
| 0.5510118236 | 0.4351538556 | 0.4323067907 | 0.4201120989 | 0.3950887153 | 0.3726141270 | 0.3585926522 | 0.3546348765 | 0.4184302816 |
| 0.5535510486 | 0.4353073123 | 0.4324616648 | 0.4202830347 | 0.3953009621 | 0.3728562326 | 0.3588457964 | 0.3548900323 | 0.4186681230 |
| 0.5560902736 | 0.4354308256 | 0.4325868043 | 0.4204251866 | 0.3954864901 | 0.3730735017 | 0.3590752499 | 0.3551218152 | 0.4188777097 |
| 0.5586294986 | 0.4355247871 | 0.4326825982 | 0.4205389279 | 0.3956456340 | 0.3732662363 | 0.3592812972 | 0.3553305054 | 0.4190593842 |
| 0.5611687236 | 0.4355895886 | 0.4327494357 | 0.4206246315 | 0.3957787285 | 0.3734347390 | 0.3594642236 | 0.3555163835 | 0.4192134897 |
| 0.5637079486 | 0.4356256218 | 0.4327877061 | 0.4206826707 | 0.3958861085 | 0.3735793122 | 0.3596243142 | 0.3556797302 | 0.4193403696 |
| 0.5662471736 | 0.4356332783 | 0.4327977983 | 0.4207134185 | 0.3959681091 | 0.3737002588 | 0.3597618545 | 0.3558208266 | 0.4194403672 |
| 0.5687863986 | 0.4356129491 | 0.4327801009 | 0.4207172475 | 0.3960250649 | 0.3737978812 | 0.3598771297 | 0.3559399533 | 0.4195138260 |
| 0.5713256236 | 0.4355650247 | 0.4327350017 | 0.4206945299 | 0.3960573104 | 0.3738724819 | 0.3599704250 | 0.3560373912 | 0.4195610892 |
| 0.5738648485 | 0.4354898949 | 0.4326628879 | 0.4206456370 | 0.3960651794 | 0.3739243627 | 0.3600420252 | 0.3561134204 | 0.4195824996 |
| 0.5764040735 | 0.4353879482 | 0.4325641457 | 0.4205709394 | 0.3960490053 | 0.3739538252 | 0.3600922145 | 0.3561683209 | 0.4195783995 |
| 0.5789432985 | 0.4352595725 | 0.4324391602 | 0.4204708067 | 0.3960091204 | 0.3739611700 | 0.3601212766 | 0.3562023718 | 0.4195491304 |
| 0.5814825235 | 0.4351051540 | 0.4322883153 | 0.4203456071 | 0.3959458562 | 0.3739466973 | 0.3601294946 | 0.3562158519 | 0.4194950333 |
| 0.5840217485 | 0.4349250777 | 0.4321119934 | 0.4201957078 | 0.3958595431 | 0.3739107061 | 0.3601171506 | 0.3562090388 | 0.4194164477 |
| 0.5865609735 | 0.4347197269 | 0.4319105754 | 0.4200214744 | 0.3957505105 | 0.3738534945 | 0.3600845258 | 0.3561822095 | 0.4193137126 |
| 0.5891001985 | 0.4344894835 | 0.4316844404 | 0.4198232709 | 0.3956190862 | 0.3737753595 | 0.3600319005 | 0.3561356398 | 0.4191871654 |
| 0.5916394235 | 0.4342347272 | 0.4314339659 | 0.4196014596 | 0.3954655968 | 0.3736765969 | 0.3599595538 | 0.3560696044 | 0.4190371423 |
| 0.5941786485 | 0.4339558360 | 0.4311595273 | 0.4193564010 | 0.3952903672 | 0.3735575010 | 0.3598677634 | 0.3559843768 | 0.4188639781 |
| 0.5967178735 | 0.4336531857 | 0.4308614980 | 0.4190884539 | 0.3950937208 | 0.3734183651 | 0.3597568059 | 0.3558802293 | 0.4186680060 |
| 0.5992570985 | 0.4333271502 | 0.4305402494 | 0.4187979746 | 0.3948759793 | 0.3732594805 | 0.3596269565 | 0.3557574328 | 0.4184495576 |
| 0.6017963235 | 0.4329781008 | 0.4301961504 | 0.4184853177 | 0.3946374623 | 0.3730811372 | 0.3594784888 | 0.3556162567 | 0.4182089627 |
| 0.6043355485 | 0.4326064067 | 0.4298295677 | 0.4181508353 | 0.3943784880 | 0.3728836235 | 0.3593116749 | 0.3554569688 | 0.4179465494 |
| 0.6068747735 | 0.4322124344 | 0.4294408655 | 0.4177948774 | 0.3940993720 | 0.3726672260 | 0.3591267853 | 0.3552798354 | 0.4176626439 |
| 0.6094139985 | 0.4317965481 | 0.4290304055 | 0.4174177914 | 0.3938004284 | 0.3724322292 | 0.3589240887 | 0.3550851212 | 0.4173575701 |
| 0.6119532235 | 0.4313591092 | 0.4285985467 | 0.4170199224 | 0.3934819687 | 0.3721789161 | 0.3587038522 | 0.3548730890 | 0.4170316501 |
| 0.6144924484 | 0.4309004765 | 0.4281456455 | 0.4166016128 | 0.3931443026 | 0.3719075676 | 0.3584663409 | 0.3546440000 | 0.4166852039 |
| 0.6170316734 | 0.4304210058 | 0.4276720556 | 0.4161632024 | 0.3927877371 | 0.3716184625 | 0.3582118182 | 0.3543981133 | 0.4163185491 |
| 0.6195708984 | 0.4299210505 | 0.4271781277 | 0.4157050284 | 0.3924125773 | 0.3713118776 | 0.3579405454 | 0.3541356864 | 0.4159320012 |
| 0.6221101234 | 0.4294009605 | 0.4266642097 | 0.4152274252 | 0.3920191256 | 0.3709880878 | 0.3576527820 | 0.3538569746 | 0.4155258733 |
| 0.6246493484 | 0.4288610834 | 0.4261306465 | 0.4147307243 | 0.3916076820 | 0.3706473654 | 0.3573487854 | 0.3535622314 | 0.4151004760 |
| 0.6271885734 | 0.4283017632 | 0.4255777802 | 0.4142152546 | 0.3911785442 | 0.3702899810 | 0.3570288108 | 0.3532517081 | 0.4146561177 |
| 0.6297277984 | 0.4277233411 | 0.4250059495 | 0.4136813419 | 0.3907320071 | 0.3699162025 | 0.3566931116 | 0.3529256542 | 0.4141931040 |
| 0.6322670234 | 0.4271261552 | 0.4244154904 | 0.4131293089 | 0.3902683632 | 0.3695262958 | 0.3563419387 | 0.3525843167 | 0.4137117384 |
| 0.6348062484 | 0.4265105404 | 0.4238067353 | 0.4125594757 | 0.3897879024 | 0.3691205245 | 0.3559755412 | 0.3522279409 | 0.4132123214 |
| 0.6373454734 | 0.4258768285 | 0.4231800139 | 0.4119721591 | 0.3892909119 | 0.3686991497 | 0.3555941656 | 0.3518567695 | 0.4126951512 |
| 0.6398846984 | 0.4252253479 | 0.4225356524 | 0.4113676728 | 0.3887776761 | 0.3682624301 | 0.3551980566 | 0.3514710433 | 0.4121605232 |
| 0.6424239234 | 0.4245564238 | 0.4218739739 | 0.4107463277 | 0.3882484768 | 0.3678106221 | 0.3547874562 | 0.3510710008 | 0.4116087302 |
| 0.6449631484 | 0.4238703782 | 0.4211952980 | 0.4101084314 | 0.3877035932 | 0.3673439798 | 0.3543626044 | 0.3506568783 | 0.4110400622 |
| 0.6475023734 | 0.4231675297 | 0.4204999414 | 0.4094542882 | 0.3871433016 | 0.3668627545 | 0.3539237389 | 0.3502289097 | 0.4104548067 |
| 0.6500415984 | 0.4224481937 | 0.4197882171 | 0.4087841995 | 0.3865678755 | 0.3663671954 | 0.3534710951 | 0.3497873268 | 0.4098532483 |
| 0.6525808233 | 0.4217126822 | 0.4190604351 | 0.4080984636 | 0.3859775857 | 0.3658575490 | 0.3530049058 | 0.3493323591 | 0.4092356688 |
| 0.6551200483 | 0.4209613037 | 0.4183169018 | 0.4073973752 | 0.3853727001 | 0.3653340593 | 0.3525254018 | 0.3488642335 | 0.4086023474 |
| 0.6576592733 | 0.4201943636 | 0.4175579204 | 0.4066812261 | 0.3847534838 | 0.3647969679 | 0.3520328114 | 0.3483831750 | 0.4079535603 |
| 0.6601984983 | 0.4194121637 | 0.4167837907 | 0.4059503050 | 0.3841201993 | 0.3642465139 | 0.3515273605 | 0.3478894060 | 0.4072895810 |
| 0.6627377233 | 0.4186150025 | 0.4159948092 | 0.4052048971 | 0.3834731059 | 0.3636829337 | 0.3510092726 | 0.3473831467 | 0.4066106802 |
| 0.6652769483 | 0.4178031751 | 0.4151912688 | 0.4044452846 | 0.3828124602 | 0.3631064615 | 0.3504787691 | 0.3468646148 | 0.4059171259 |
| 0.6678161733 | 0.4169769732 | 0.4143734594 | 0.4036717462 | 0.3821385162 | 0.3625173286 | 0.3499360687 | 0.3463340260 | 0.4052091830 |
| 0.6703553983 | 0.4161366852 | 0.4135416672 | 0.4028845578 | 0.3814515248 | 0.3619157639 | 0.3493813880 | 0.3457915934 | 0.4044871139 |
| 0.6728946233 | 0.4152825961 | 0.4126961752 | 0.4020839917 | 0.3807517340 | 0.3613019940 | 0.3488149409 | 0.3452375277 | 0.4037511779 |
| 0.6754338483 | 0.4144149873 | 0.4118372629 | 0.4012703172 | 0.3800393893 | 0.3606762426 | 0.3482369392 | 0.3446720374 | 0.4030016316 |
| 0.6779730733 | 0.4135341372 | 0.4109652067 | 0.4004438003 | 0.3793147330 | 0.3600387312 | 0.3476475922 | 0.3440953287 | 0.4022387288 |
| 0.6805122983 | 0.4126403205 | 0.4100802795 | 0.3996047038 | 0.3785780048 | 0.3593896786 | 0.3470471070 | 0.3435076055 | 0.4014627205 |
| 0.6830515233 | 0.4117338087 | 0.4091827508 | 0.3987532874 | 0.3778294414 | 0.3587293011 | 0.3464356881 | 0.3429090692 | 0.4006738549 |
| 0.6855907483 | 0.4108148700 | 0.4082728868 | 0.3978898076 | 0.3770692770 | 0.3580578127 | 0.3458135379 | 0.3422999190 | 0.3998723773 |
| 0.6881299733 | 0.4098837693 | 0.4073509506 | 0.3970145176 | 0.3762977428 | 0.3573754245 | 0.3451808563 | 0.3416803519 | 0.3990585302 |
| 0.6906691983 | 0.4089407680 | 0.4064172017 | 0.3961276676 | 0.3755150671 | 0.3566823456 | 0.3445378408 | 0.3410505624 | 0.3982325536 |
| 0.6932084232 | 0.4079861244 | 0.4054718965 | 0.3952295046 | 0.3747214757 | 0.3559787823 | 0.3438846868 | 0.3404107429 | 0.3973946843 |
| 0.6957476482 | 0.4070200935 | 0.4045152883 | 0.3943202726 | 0.3739171915 | 0.3552649385 | 0.3432215873 | 0.3397610833 | 0.3965451568 |
| 0.6982868732 | 0.4060429269 | 0.4035476267 | 0.3934002124 | 0.3731024346 | 0.3545410158 | 0.3425487330 | 0.3391017716 | 0.3956842026 |
| 0.7008260982 | 0.4050548732 | 0.4025691586 | 0.3924695617 | 0.3722774224 | 0.3538072132 | 0.3418663122 | 0.3384329933 | 0.3948120504 |
| 0.7033653232 | 0.4040561776 | 0.4015801274 | 0.3915285551 | 0.3714423699 | 0.3530637275 | 0.3411745112 | 0.3377549317 | 0.3939289264 |
| 0.7059045482 | 0.4030470822 | 0.4005807735 | 0.3905774243 | 0.3705974889 | 0.3523107528 | 0.3404735138 | 0.3370677679 | 0.3930350541 |
| 0.7084437732 | 0.4020278259 | 0.3995713339 | 0.3896163980 | 0.3697429890 | 0.3515484812 | 0.3397635018 | 0.3363716809 | 0.3921306542 |
| 0.7109829982 | 0.4009986446 | 0.3985520428 | 0.3886457019 | 0.3688790768 | 0.3507771021 | 0.3390446546 | 0.3356668474 | 0.3912159449 |
| 0.7135222232 | 0.3999597708 | 0.3975231311 | 0.3876655585 | 0.3680059565 | 0.3499968027 | 0.3383171494 | 0.3349534420 | 0.3902911415 |
| 0.7160614482 | 0.3989114343 | 0.3964848267 | 0.3866761876 | 0.3671238297 | 0.3492077680 | 0.3375811614 | 0.3342316372 | 0.3893564571 |
| 0.7186006732 | 0.3978538616 | 0.3954373544 | 0.3856778062 | 0.3662328952 | 0.3484101806 | 0.3368368636 | 0.3335016033 | 0.3884121020 |
| 0.7211398982 | 0.3967872761 | 0.3943809361 | 0.3846706281 | 0.3653333496 | 0.3476042207 | 0.3360844267 | 0.3327635085 | 0.3874582837 |
| 0.7236791232 | 0.3957118985 | 0.3933157907 | 0.3836548645 | 0.3644253866 | 0.3467900664 | 0.3353240194 | 0.3320175190 | 0.3864952077 |
| 0.7262183482 | 0.3946279462 | 0.3922421340 | 0.3826307236 | 0.3635091977 | 0.3459678936 | 0.3345558083 | 0.3312637989 | 0.3855230764 |
| 0.7287575732 | 0.3935356339 | 0.3911601790 | 0.3815984110 | 0.3625849717 | 0.3451378759 | 0.3337799580 | 0.3305025101 | 0.3845420902 |
| 0.7312967982 | 0.3924351733 | 0.3900701359 | 0.3805581292 | 0.3616528950 | 0.3443001847 | 0.3329966308 | 0.3297338128 | 0.3835524467 |
| 0.7338360231 | 0.3913267732 | 0.3889722119 | 0.3795100783 | 0.3607131517 | 0.3434549893 | 0.3322059873 | 0.3289578649 | 0.3825543413 |
| 0.7363752481 | 0.3902106397 | 0.3878666112 | 0.3784544555 | 0.3597659233 | 0.3426024567 | 0.3314081858 | 0.3281748226 | 0.3815479666 |
| 0.7389144731 | 0.3890869758 | 0.3867535356 | 0.3773914554 | 0.3588113891 | 0.3417427521 | 0.3306033829 | 0.3273848398 | 0.3805335133 |
| 0.7414536981 | 0.3879559819 | 0.3856331839 | 0.3763212699 | 0.3578497259 | 0.3408760383 | 0.3297917329 | 0.3265880688 | 0.3795111694 |
| 0.7439929231 | 0.3868178558 | 0.3845057522 | 0.3752440883 | 0.3568811082 | 0.3400024761 | 0.3289733884 | 0.3257846598 | 0.3784811206 |
| 0.7465321481 | 0.3856727923 | 0.3833714338 | 0.3741600973 | 0.3559057083 | 0.3391222244 | 0.3281485000 | 0.3249747612 | 0.3774435503 |
| 0.7490713731 | 0.3845209837 | 0.3822304194 | 0.3730694810 | 0.3549236962 | 0.3382354399 | 0.3273172164 | 0.3241585194 | 0.3763986398 |
| 0.7516105981 | 0.3833626195 | 0.3810828972 | 0.3719724211 | 0.3539352396 | 0.3373422774 | 0.3264796844 | 0.3233360790 | 0.3753465678 |
| 0.7541498231 | 0.3821978867 | 0.3799290526 | 0.3708690966 | 0.3529405040 | 0.3364428896 | 0.3256360491 | 0.3225075830 | 0.3742875109 |
| 0.7566890481 | 0.3810269697 | 0.3787690685 | 0.3697596842 | 0.3519396527 | 0.3355374275 | 0.3247864536 | 0.3216731724 | 0.3732216437 |
| 0.7592282731 | 0.3798500503 | 0.3776031252 | 0.3686443581 | 0.3509328468 | 0.3346260398 | 0.3239310391 | 0.3208329863 | 0.3721491382 |
| 0.7617674981 | 0.3786673077 | 0.3764314006 | 0.3675232901 | 0.3499202454 | 0.3337088737 | 0.3230699454 | 0.3199871624 | 0.3710701646 |
| 0.7643067231 | 0.3774789188 | 0.3752540700 | 0.3663966496 | 0.3489020054 | 0.3327860743 | 0.3222033102 | 0.3191358363 | 0.3699848908 |
| 0.7668459481 | 0.3762850579 | 0.3740713063 | 0.3652646037 | 0.3478782816 | 0.3318577848 | 0.3213312695 | 0.3182791420 | 0.3688934826 |
| 0.7693851731 | 0.3750858970 | 0.3728832801 | 0.3641273173 | 0.3468492268 | 0.3309241467 | 0.3204539578 | 0.3174172121 | 0.3677961038 |
| 0.7719243980 | 0.3738816054 | 0.3716901595 | 0.3629849526 | 0.3458149917 | 0.3299852996 | 0.3195715076 | 0.3165501771 | 0.3666929159 |
| 0.7744636230 | 0.3726723505 | 0.3704921102 | 0.3618376701 | 0.3447757251 | 0.3290413815 | 0.3186840500 | 0.3156781662 | 0.3655840787 |
| 0.7770028480 | 0.3714582969 | 0.3692892956 | 0.3606856276 | 0.3437315737 | 0.3280925283 | 0.3177917143 | 0.3148013068 | 0.3644697498 |
| 0.7795420730 | 0.3702396072 | 0.3680818770 | 0.3595289810 | 0.3426826823 | 0.3271388746 | 0.3168946282 | 0.3139197247 | 0.3633500848 |
| 0.7820812980 | 0.3690164418 | 0.3668700132 | 0.3583678840 | 0.3416291939 | 0.3261805528 | 0.3159929179 | 0.3130335441 | 0.3622252374 |
| 0.7846205230 | 0.3677889585 | 0.3656538609 | 0.3572024881 | 0.3405712495 | 0.3252176941 | 0.3150867078 | 0.3121428879 | 0.3610953595 |
| 0.7871597480 | 0.3665573132 | 0.3644335746 | 0.3560329426 | 0.3395089881 | 0.3242504277 | 0.3141761209 | 0.3112478771 | 0.3599606008 |
| 0.7896989730 | 0.3653216595 | 0.3632093066 | 0.3548593950 | 0.3384425471 | 0.3232788812 | 0.3132612788 | 0.3103486315 | 0.3588211094 |
| 0.7922381980 | 0.3640821489 | 0.3619812071 | 0.3536819905 | 0.3373720619 | 0.3223031807 | 0.3123423012 | 0.3094452692 | 0.3576770313 |
| 0.7947774230 | 0.3628389308 | 0.3607494241 | 0.3525008724 | 0.3362976663 | 0.3213234507 | 0.3114193065 | 0.3085379069 | 0.3565285109 |
| 0.7973166480 | 0.3615921524 | 0.3595141038 | 0.3513161820 | 0.3352194920 | 0.3203398140 | 0.3104924119 | 0.3076266598 | 0.3553756907 |
| 0.7998558730 | 0.3603419590 | 0.3582753899 | 0.3501280586 | 0.3341376693 | 0.3193523919 | 0.3095617326 | 0.3067116418 | 0.3542187113 |
| 0.8023950980 | 0.3590884938 | 0.3570334245 | 0.3489366396 | 0.3330523267 | 0.3183613042 | 0.3086273829 | 0.3057929653 | 0.3530577117 |
| 0.8049343230 | 0.3578318979 | 0.3557883476 | 0.3477420606 | 0.3319635907 | 0.3173666691 | 0.3076894752 | 0.3048707413 | 0.3518928291 |
| 0.8074735480 | 0.3565723106 | 0.3545402971 | 0.3465444550 | 0.3308715866 | 0.3163686035 | 0.3067481209 | 0.3039450794 | 0.3507241989 |
| 0.8100127730 | 0.3553098692 | 0.3532894090 | 0.3453439547 | 0.3297764378 | 0.3153672226 | 0.3058034298 | 0.3030160880 | 0.3495519550 |
| 0.8125519979 | 0.3540447090 | 0.3520358176 | 0.3441406895 | 0.3286782659 | 0.3143626403 | 0.3048555104 | 0.3020838739 | 0.3483762295 |
| 0.8150912229 | 0.3527769635 | 0.3507796551 | 0.3429347877 | 0.3275771913 | 0.3133549691 | 0.3039044700 | 0.3011485428 | 0.3471971529 |
| 0.8176304479 | 0.3515067643 | 0.3495210520 | 0.3417263756 | 0.3264733325 | 0.3123443198 | 0.3029504142 | 0.3002101991 | 0.3460148539 |
| 0.8201696729 | 0.3502342412 | 0.3482601368 | 0.3405155778 | 0.3253668065 | 0.3113308022 | 0.3019934477 | 0.2992689458 | 0.3448294598 |
| 0.8227088979 | 0.3489595221 | 0.3469970364 | 0.3393025171 | 0.3242577289 | 0.3103145245 | 0.3010336738 | 0.2983248847 | 0.3436410963 |
| 0.8252481229 | 0.3476827332 | 0.3457318757 | 0.3380873148 | 0.3231462137 | 0.3092955936 | 0.3000711944 | 0.2973781164 | 0.3424498874 |
| 0.8277873479 | 0.3464039990 | 0.3444647781 | 0.3368700903 | 0.3220323733 | 0.3082741151 | 0.2991061103 | 0.2964287401 | 0.3412559557 |
| 0.8303265729 | 0.3451234420 | 0.3431958651 | 0.3356509614 | 0.3209163188 | 0.3072501931 | 0.2981385209 | 0.2954768541 | 0.3400594222 |
| 0.8328657979 | 0.3438411834 | 0.3419252566 | 0.3344300445 | 0.3197981596 | 0.3062239307 | 0.2971685246 | 0.2945225552 | 0.3388604063 |
| 0.8354050229 | 0.3425573423 | 0.3406530707 | 0.3332074541 | 0.3186780040 | 0.3051954295 | 0.2961962186 | 0.2935659392 | 0.3376590261 |
| 0.8379442479 | 0.3412720364 | 0.3393794240 | 0.3319833033 | 0.3175559587 | 0.3041647899 | 0.2952216986 | 0.2926071006 | 0.3364553982 |
| 0.8404834729 | 0.3399853817 | 0.3381044314 | 0.3307577034 | 0.3164321289 | 0.3031321110 | 0.2942450594 | 0.2916461329 | 0.3352496375 |
| 0.8430226979 | 0.3386974924 | 0.3368282061 | 0.3295307645 | 0.3153066186 | 0.3020974908 | 0.2932663946 | 0.2906831284 | 0.3340418578 |
| 0.8455619229 | 0.3374084814 | 0.3355508599 | 0.3283025949 | 0.3141795303 | 0.3010610260 | 0.2922857968 | 0.2897181782 | 0.3328321713 |
| 0.8481011479 | 0.3361184599 | 0.3342725029 | 0.3270733015 | 0.3130509653 | 0.3000228120 | 0.2913033571 | 0.2887513724 | 0.3316206888 |
| 0.8506403728 | 0.3348275375 | 0.3329932436 | 0.3258429898 | 0.3119210235 | 0.2989829432 | 0.2903191658 | 0.2877828000 | 0.3304075199 |
| 0.8531795978 | 0.3335358223 | 0.3317131892 | 0.3246117637 | 0.3107898035 | 0.2979415127 | 0.2893333121 | 0.2868125489 | 0.3291927725 |
| 0.8557188228 | 0.3322434208 | 0.3304324453 | 0.3233797256 | 0.3096574025 | 0.2968986125 | 0.2883458840 | 0.2858407060 | 0.3279765534 |
| 0.8582580478 | 0.3309504382 | 0.3291511158 | 0.3221469769 | 0.3085239166 | 0.2958543335 | 0.2873569684 | 0.2848673570 | 0.3267589680 |
| 0.8607972728 | 0.3296569781 | 0.3278693035 | 0.3209136170 | 0.3073894406 | 0.2948087654 | 0.2863666514 | 0.2838925867 | 0.3255401205 |
| 0.8633364978 | 0.3283631426 | 0.3265871096 | 0.3196797444 | 0.3062540681 | 0.2937619968 | 0.2853750177 | 0.2829164788 | 0.3243201135 |
| 0.8658757228 | 0.3270690325 | 0.3253046337 | 0.3184454560 | 0.3051178912 | 0.2927141152 | 0.2843821512 | 0.2819391162 | 0.3230990487 |
| 0.8684149478 | 0.3257747471 | 0.3240219742 | 0.3172108473 | 0.3039810011 | 0.2916652070 | 0.2833881348 | 0.2809605804 | 0.3218770261 |
| 0.8709541728 | 0.3244803844 | 0.3227392282 | 0.3159760127 | 0.3028434877 | 0.2906153576 | 0.2823930502 | 0.2799809522 | 0.3206541449 |
| 0.8734933978 | 0.3231860407 | 0.3214564912 | 0.3147410452 | 0.3017054397 | 0.2895646512 | 0.2813969784 | 0.2790003115 | 0.3194305026 |
| 0.8760326228 | 0.3218918115 | 0.3201738574 | 0.3135060363 | 0.3005669447 | 0.2885131712 | 0.2803999991 | 0.2780187369 | 0.3182061958 |
| 0.8785718478 | 0.3205977903 | 0.3188914198 | 0.3122710764 | 0.2994280890 | 0.2874609996 | 0.2794021913 | 0.2770363064 | 0.3169813197 |
| 0.8811110728 | 0.3193040698 | 0.3176092699 | 0.3110362547 | 0.2982889579 | 0.2864082178 | 0.2784036329 | 0.2760530968 | 0.3157559685 |
| 0.8836502978 | 0.3180107412 | 0.3163274981 | 0.3098016591 | 0.2971496355 | 0.2853549058 | 0.2774044008 | 0.2750691841 | 0.3145302349 |
| 0.8861895228 | 0.3167178942 | 0.3150461933 | 0.3085673761 | 0.2960102049 | 0.2843011428 | 0.2764045711 | 0.2740846434 | 0.3133042106 |
| 0.8887287478 | 0.3154256176 | 0.3137654433 | 0.3073334911 | 0.2948707478 | 0.2832470070 | 0.2754042189 | 0.2730995487 | 0.3120779862 |
| 0.8912679727 | 0.3141339987 | 0.3124853345 | 0.3061000885 | 0.2937313453 | 0.2821925756 | 0.2744034184 | 0.2721139734 | 0.3108516511 |
| 0.8938071977 | 0.3128431234 | 0.3112059521 | 0.3048672511 | 0.2925920769 | 0.2811379248 | 0.2734022428 | 0.2711279897 | 0.3096252933 |
| 0.8963464227 | 0.3115530768 | 0.3099273802 | 0.3036350608 | 0.2914530215 | 0.2800831299 | 0.2724007645 | 0.2701416691 | 0.3083990000 |
| 0.8988856477 | 0.3102639424 | 0.3086497016 | 0.3024035983 | 0.2903142565 | 0.2790282651 | 0.2713990550 | 0.2691550822 | 0.3071728571 |
| 0.9014248727 | 0.3089758026 | 0.3073729978 | 0.3011729431 | 0.2891758586 | 0.2779734039 | 0.2703971849 | 0.2681682987 | 0.3059469495 |
| 0.9039640977 | 0.3076887386 | 0.3060973493 | 0.2999431735 | 0.2880379034 | 0.2769186186 | 0.2693952240 | 0.2671813874 | 0.3047213610 |
| 0.9065033227 | 0.3064028305 | 0.3048228352 | 0.2987143669 | 0.2869004653 | 0.2758639807 | 0.2683932410 | 0.2661944163 | 0.3034961740 |
| 0.9090425477 | 0.3051181571 | 0.3035495337 | 0.2974865994 | 0.2857636179 | 0.2748095610 | 0.2673913041 | 0.2652074526 | 0.3022714702 |
| 0.9115817727 | 0.3038347961 | 0.3022775216 | 0.2962599460 | 0.2846274337 | 0.2737554290 | 0.2663894802 | 0.2642205626 | 0.3010473301 |
| 0.9141209977 | 0.3025528241 | 0.3010068749 | 0.2950344807 | 0.2834919843 | 0.2727016535 | 0.2653878358 | 0.2632338118 | 0.2998238331 |
| 0.9166602227 | 0.3012723166 | 0.2997376680 | 0.2938102763 | 0.2823573402 | 0.2716483025 | 0.2643864364 | 0.2622472648 | 0.2986010575 |
| 0.9191994477 | 0.2999933477 | 0.2984699746 | 0.2925874047 | 0.2812235709 | 0.2705954430 | 0.2633853465 | 0.2612609856 | 0.2973790806 |
| 0.9217386727 | 0.2987159908 | 0.2972038671 | 0.2913659366 | 0.2800907451 | 0.2695431411 | 0.2623846300 | 0.2602750372 | 0.2961579788 |
| 0.9242778977 | 0.2974403178 | 0.2959394169 | 0.2901459416 | 0.2789589305 | 0.2684914621 | 0.2613843499 | 0.2592894818 | 0.2949378272 |
| 0.9268171227 | 0.2961663999 | 0.2946766944 | 0.2889274886 | 0.2778281937 | 0.2674404705 | 0.2603845685 | 0.2583043809 | 0.2937187002 |
| 0.9293563476 | 0.2948943069 | 0.2934157686 | 0.2877106451 | 0.2766986006 | 0.2663902297 | 0.2593853471 | 0.2573197951 | 0.2925006708 |
| 0.9318955726 | 0.2936241076 | 0.2921567078 | 0.2864954778 | 0.2755702160 | 0.2653408026 | 0.2583867463 | 0.2563357845 | 0.2912838114 |
| 0.9344347976 | 0.2923558700 | 0.2908995791 | 0.2852820523 | 0.2744431038 | 0.2642922510 | 0.2573888260 | 0.2553524080 | 0.2900681931 |
| 0.9369740226 | 0.2910896607 | 0.2896444486 | 0.2840704332 | 0.2733173272 | 0.2632446360 | 0.2563916452 | 0.2543697241 | 0.2888538862 |
| 0.9395132476 | 0.2898255456 | 0.2883913813 | 0.2828606842 | 0.2721929481 | 0.2621980178 | 0.2553952622 | 0.2533877903 | 0.2876409599 |
| 0.9420524726 | 0.2885635892 | 0.2871404413 | 0.2816528679 | 0.2710700280 | 0.2611524559 | 0.2543997345 | 0.2524066635 | 0.2864294824 |
| 0.9445916976 | 0.2873038552 | 0.2858916917 | 0.2804470462 | 0.2699486270 | 0.2601080088 | 0.2534051188 | 0.2514263998 | 0.2852195211 |
| 0.9471309226 | 0.2860464064 | 0.2846451943 | 0.2792432796 | 0.2688288046 | 0.2590647344 | 0.2524114712 | 0.2504470545 | 0.2840111424 |
| 0.9496701476 | 0.2847913044 | 0.2834010105 | 0.2780416281 | 0.2677106196 | 0.2580226897 | 0.2514188467 | 0.2494686822 | 0.2828044115 |
| 0.9522093726 | 0.2835386098 | 0.2821592001 | 0.2768421504 | 0.2665941295 | 0.2569819308 | 0.2504273000 | 0.2484913369 | 0.2815993931 |
| 0.9547485976 | 0.2822883825 | 0.2809198222 | 0.2756449046 | 0.2654793913 | 0.2559425133 | 0.2494368848 | 0.2475150715 | 0.2803961504 |
| 0.9572878226 | 0.2810406811 | 0.2796829352 | 0.2744499476 | 0.2643664609 | 0.2549044917 | 0.2484476540 | 0.2465399386 | 0.2791947462 |
| 0.9598270476 | 0.2797955633 | 0.2784485960 | 0.2732573354 | 0.2632553937 | 0.2538679199 | 0.2474596600 | 0.2455659899 | 0.2779952421 |
| 0.9623662726 | 0.2785530861 | 0.2772168610 | 0.2720671234 | 0.2621462438 | 0.2528328510 | 0.2464729542 | 0.2445932762 | 0.2767976989 |
| 0.9649054976 | 0.2773133052 | 0.2759877854 | 0.2708793656 | 0.2610390648 | 0.2517993373 | 0.2454875875 | 0.2436218480 | 0.2756021762 |
| 0.9674447226 | 0.2760762757 | 0.2747614237 | 0.2696941157 | 0.2599339094 | 0.2507674305 | 0.2445036100 | 0.2426517548 | 0.2744087331 |
| 0.9699839475 | 0.2748420514 | 0.2735378293 | 0.2685114259 | 0.2588308294 | 0.2497371813 | 0.2435210711 | 0.2416830454 | 0.2732174275 |
| 0.9725231725 | 0.2736106854 | 0.2723170547 | 0.2673313480 | 0.2577298759 | 0.2487086398 | 0.2425400195 | 0.2407157680 | 0.2720283166 |
| 0.9750623975 | 0.2723822300 | 0.2710991515 | 0.2661539327 | 0.2566310991 | 0.2476818552 | 0.2415605031 | 0.2397499701 | 0.2708414565 |
| 0.9776016225 | 0.2711567362 | 0.2698841706 | 0.2649792298 | 0.2555345484 | 0.2466568763 | 0.2405825693 | 0.2387856985 | 0.2696569027 |
| 0.9801408475 | 0.2699342546 | 0.2686721617 | 0.2638072885 | 0.2544402726 | 0.2456337508 | 0.2396062646 | 0.2378229993 | 0.2684747095 |
| 0.9826800725 | 0.2687148346 | 0.2674631738 | 0.2626381568 | 0.2533483194 | 0.2446125258 | 0.2386316348 | 0.2368619179 | 0.2672949306 |
| 0.9852192975 | 0.2674985246 | 0.2662572550 | 0.2614718821 | 0.2522587360 | 0.2435932477 | 0.2376587253 | 0.2359024991 | 0.2661176187 |
| 0.9877585225 | 0.2662853724 | 0.2650544526 | 0.2603085109 | 0.2511715685 | 0.2425759622 | 0.2366875806 | 0.2349447869 | 0.2649428256 |
| 0.9902977475 | 0.2650754248 | 0.2638548127 | 0.2591480889 | 0.2500868626 | 0.2415607143 | 0.2357182444 | 0.2339888248 | 0.2637706024 |
| 0.9928369725 | 0.2638687277 | 0.2626583811 | 0.2579906609 | 0.2490046630 | 0.2405475481 | 0.2347507599 | 0.2330346555 | 0.2626009991 |
| 0.9953761975 | 0.2626653263 | 0.2614652022 | 0.2568362710 | 0.2479250136 | 0.2395365072 | 0.2337851697 | 0.2320823212 | 0.2614340652 |
| 0.9979154225 | 0.2614652648 | 0.2602753200 | 0.2556849622 | 0.2468479577 | 0.2385276344 | 0.2328215157 | 0.2311318632 | 0.2602698491 |
| 1.0004546475 | 0.2602685864 | 0.2590887773 | 0.2545367771 | 0.2457735378 | 0.2375209719 | 0.2318598388 | 0.2301833223 | 0.2591083984 |
| 1.0029938725 | 0.2590753339 | 0.2579056164 | 0.2533917573 | 0.2447017956 | 0.2365165610 | 0.2309001797 | 0.2292367387 | 0.2579497599 |
| 1.0055330975 | 0.2578855489 | 0.2567258785 | 0.2522499435 | 0.2436327722 | 0.2355144425 | 0.2299425783 | 0.2282921519 | 0.2567939796 |
| 1.0080723225 | 0.2566992723 | 0.2555496042 | 0.2511113759 | 0.2425665076 | 0.2345146565 | 0.2289870737 | 0.2273496007 | 0.2556411027 |
| 1.0106115474 | 0.2555165442 | 0.2543768331 | 0.2499760935 | 0.2415030416 | 0.2335172423 | 0.2280337045 | 0.2264091234 | 0.2544911736 |
| 1.0131507724 | 0.2543374039 | 0.2532076041 | 0.2488441350 | 0.2404424129 | 0.2325222386 | 0.2270825086 | 0.2254707575 | 0.2533442357 |
| 1.0156899974 | 0.2531618897 | 0.2520419554 | 0.2477155381 | 0.2393846595 | 0.2315296834 | 0.2261335233 | 0.2245345399 | 0.2522003319 |
| 1.0182292224 | 0.2519900394 | 0.2508799242 | 0.2465903396 | 0.2383298189 | 0.2305396141 | 0.2251867853 | 0.2236005071 | 0.2510595040 |
| 1.0207684474 | 0.2508218898 | 0.2497215471 | 0.2454685758 | 0.2372779276 | 0.2295520674 | 0.2242423305 | 0.2226686947 | 0.2499217933 |
| 1.0233076724 | 0.2496574770 | 0.2485668597 | 0.2443502821 | 0.2362290217 | 0.2285670792 | 0.2233001943 | 0.2217391379 | 0.2487872400 |
| 1.0258468974 | 0.2484968362 | 0.2474158972 | 0.2432354932 | 0.2351831364 | 0.2275846850 | 0.2223604115 | 0.2208118710 | 0.2476558839 |
| 1.0283861224 | 0.2473400021 | 0.2462686936 | 0.2421242430 | 0.2341403062 | 0.2266049194 | 0.2214230162 | 0.2198869280 | 0.2465277636 |
| 1.0309253474 | 0.2461870083 | 0.2451252824 | 0.2410165648 | 0.2331005650 | 0.2256278166 | 0.2204880420 | 0.2189643421 | 0.2454029173 |
| 1.0334645724 | 0.2450378879 | 0.2439856963 | 0.2399124911 | 0.2320639459 | 0.2246534098 | 0.2195555217 | 0.2180441459 | 0.2442813822 |
| 1.0360037974 | 0.2438926730 | 0.2428499673 | 0.2388120537 | 0.2310304816 | 0.2236817320 | 0.2186254876 | 0.2171263716 | 0.2431631948 |
| 1.0385430224 | 0.2427513951 | 0.2417181266 | 0.2377152836 | 0.2300002037 | 0.2227128152 | 0.2176979715 | 0.2162110506 | 0.2420483908 |
| 1.0410822474 | 0.2416140850 | 0.2405902046 | 0.2366222111 | 0.2289731434 | 0.2217466910 | 0.2167730044 | 0.2152982137 | 0.2409370053 |
| 1.0436214724 | 0.2404807727 | 0.2394662310 | 0.2355328659 | 0.2279493313 | 0.2207833902 | 0.2158506169 | 0.2143878913 | 0.2398290726 |
| 1.0461606974 | 0.2393514874 | 0.2383462350 | 0.2344472769 | 0.2269287971 | 0.2198229431 | 0.2149308387 | 0.2134801129 | 0.2387246261 |
| 1.0486999223 | 0.2382262577 | 0.2372302447 | 0.2333654725 | 0.2259115700 | 0.2188653793 | 0.2140136993 | 0.2125749079 | 0.2376236986 |
| 1.0512391473 | 0.2371051114 | 0.2361182878 | 0.2322874801 | 0.2248976785 | 0.2179107279 | 0.2130992273 | 0.2116723045 | 0.2365263222 |
| 1.0537783723 | 0.2359880755 | 0.2350103911 | 0.2312133267 | 0.2238871505 | 0.2169590172 | 0.2121874509 | 0.2107723309 | 0.2354325283 |
| 1.0563175973 | 0.2348751766 | 0.2339065809 | 0.2301430384 | 0.2228800131 | 0.2160102751 | 0.2112783976 | 0.2098750144 | 0.2343423473 |
| 1.0588568223 | 0.2337664402 | 0.2328068826 | 0.2290766408 | 0.2218762931 | 0.2150645287 | 0.2103720945 | 0.2089803819 | 0.2332558093 |
| 1.0613960473 | 0.2326618914 | 0.2317113210 | 0.2280141587 | 0.2208760163 | 0.2141218047 | 0.2094685678 | 0.2080884595 | 0.2321729434 |
| 1.0639352723 | 0.2315615545 | 0.2306199203 | 0.2269556164 | 0.2198792080 | 0.2131821291 | 0.2085678436 | 0.2071992731 | 0.2310937780 |
| 1.0664744973 | 0.2304654531 | 0.2295327038 | 0.2259010374 | 0.2188858930 | 0.2122455272 | 0.2076699470 | 0.2063128476 | 0.2300183411 |
| 1.0690137223 | 0.2293736101 | 0.2284496944 | 0.2248504446 | 0.2178960953 | 0.2113120240 | 0.2067749028 | 0.2054292079 | 0.2289466596 |
| 1.0715529473 | 0.2282860479 | 0.2273709142 | 0.2238038604 | 0.2169098385 | 0.2103816436 | 0.2058827351 | 0.2045483778 | 0.2278787599 |
| 1.0740921723 | 0.2272027879 | 0.2262963846 | 0.2227613062 | 0.2159271453 | 0.2094544097 | 0.2049934676 | 0.2036703808 | 0.2268146679 |
| 1.0766313973 | 0.2261238513 | 0.2252261264 | 0.2217228032 | 0.2149480381 | 0.2085303455 | 0.2041071232 | 0.2027952401 | 0.2257544085 |
| 1.0791706223 | 0.2250492582 | 0.2241601598 | 0.2206883717 | 0.2139725385 | 0.2076094734 | 0.2032237246 | 0.2019229779 | 0.2246980061 |
| 1.0817098473 | 0.2239790284 | 0.2230985043 | 0.2196580314 | 0.2130006676 | 0.2066918155 | 0.2023432938 | 0.2010536161 | 0.2236454844 |
| 1.0842490723 | 0.2229131808 | 0.2220411788 | 0.2186318015 | 0.2120324459 | 0.2057773930 | 0.2014658521 | 0.2001871763 | 0.2225968665 |
| 1.0867882973 | 0.2218517337 | 0.2209882014 | 0.2176097006 | 0.2110678932 | 0.2048662270 | 0.2005914204 | 0.1993236790 | 0.2215521748 |
| 1.0893275222 | 0.2207947050 | 0.2199395900 | 0.2165917464 | 0.2101070289 | 0.2039583376 | 0.1997200192 | 0.1984631448 | 0.2205114309 |
| 1.0918667472 | 0.2197421117 | 0.2188953614 | 0.2155779565 | 0.2091498718 | 0.2030537446 | 0.1988516684 | 0.1976055935 | 0.2194746561 |
| 1.0944059722 | 0.2186939703 | 0.2178555320 | 0.2145683474 | 0.2081964401 | 0.2021524673 | 0.1979863872 | 0.1967510442 | 0.2184418708 |
| 1.0969451972 | 0.2176502968 | 0.2168201178 | 0.2135629354 | 0.2072467513 | 0.2012545243 | 0.1971241945 | 0.1958995158 | 0.2174130948 |
| 1.0994844222 | 0.2166111063 | 0.2157891338 | 0.2125617360 | 0.2063008225 | 0.2003599337 | 0.1962651086 | 0.1950510266 | 0.2163883473 |
| 1.1020236472 | 0.2155764136 | 0.2147625947 | 0.2115647643 | 0.2053586703 | 0.1994687132 | 0.1954091473 | 0.1942055943 | 0.2153676470 |
| 1.1045628722 | 0.2145462328 | 0.2137405145 | 0.2105720346 | 0.2044203106 | 0.1985808798 | 0.1945563280 | 0.1933632363 | 0.2143510117 |
| 1.1071020972 | 0.2135205774 | 0.2127229067 | 0.2095835608 | 0.2034857588 | 0.1976964502 | 0.1937066673 | 0.1925239694 | 0.2133384588 |
| 1.1096413222 | 0.2124994602 | 0.2117097841 | 0.2085993563 | 0.2025550298 | 0.1968154403 | 0.1928601818 | 0.1916878098 | 0.2123300052 |
| 1.1121805472 | 0.2114828936 | 0.2107011590 | 0.2076194337 | 0.2016281381 | 0.1959378657 | 0.1920168871 | 0.1908547734 | 0.2113256669 |
| 1.1147197722 | 0.2104708895 | 0.2096970431 | 0.2066438053 | 0.2007050973 | 0.1950637415 | 0.1911767986 | 0.1900248756 | 0.2103254596 |
| 1.1172589972 | 0.2094634589 | 0.2086974478 | 0.2056724828 | 0.1997859208 | 0.1941930822 | 0.1903399312 | 0.1891981311 | 0.2093293981 |
| 1.1197982222 | 0.2084606126 | 0.2077023834 | 0.2047054773 | 0.1988706215 | 0.1933259018 | 0.1895062992 | 0.1883745545 | 0.2083374970 |
| 1.1223374472 | 0.2074623607 | 0.2067118603 | 0.2037427993 | 0.1979592115 | 0.1924622139 | 0.1886759166 | 0.1875541596 | 0.2073497700 |
| 1.1248766722 | 0.2064687127 | 0.2057258879 | 0.2027844590 | 0.1970517027 | 0.1916020315 | 0.1878487968 | 0.1867369599 | 0.2063662304 |
| 1.1274158971 | 0.2054796777 | 0.2047444752 | 0.2018304660 | 0.1961481063 | 0.1907453672 | 0.1870249528 | 0.1859229685 | 0.2053868910 |
| 1.1299551221 | 0.2044952641 | 0.2037676308 | 0.2008808293 | 0.1952484332 | 0.1898922332 | 0.1862043970 | 0.1851121979 | 0.2044117637 |
| 1.1324943471 | 0.2035154800 | 0.2027953625 | 0.1999355574 | 0.1943526935 | 0.1890426410 | 0.1853871417 | 0.1843046602 | 0.2034408603 |
| 1.1350335721 | 0.2025403326 | 0.2018276780 | 0.1989946584 | 0.1934608972 | 0.1881966018 | 0.1845731983 | 0.1835003671 | 0.2024741918 |
| 1.1375727971 | 0.2015698291 | 0.2008645840 | 0.1980581398 | 0.1925730535 | 0.1873541264 | 0.1837625780 | 0.1826993299 | 0.2015117686 |
| 1.1401120221 | 0.2006039758 | 0.1999060871 | 0.1971260088 | 0.1916891713 | 0.1865152249 | 0.1829552916 | 0.1819015593 | 0.2005536007 |
| 1.1426512471 | 0.1996427786 | 0.1989521933 | 0.1961982718 | 0.1908092589 | 0.1856799072 | 0.1821513494 | 0.1811070657 | 0.1995996977 |
| 1.1451904721 | 0.1986862429 | 0.1980029080 | 0.1952749351 | 0.1899333244 | 0.1848481826 | 0.1813507612 | 0.1803158590 | 0.1986500684 |
| 1.1477296971 | 0.1977343738 | 0.1970582361 | 0.1943560042 | 0.1890613751 | 0.1840200600 | 0.1805535364 | 0.1795279488 | 0.1977047212 |
| 1.1502689221 | 0.1967871756 | 0.1961181823 | 0.1934414842 | 0.1881934181 | 0.1831955478 | 0.1797596841 | 0.1787433441 | 0.1967636639 |
| 1.1528081471 | 0.1958446524 | 0.1951827504 | 0.1925313800 | 0.1873294598 | 0.1823746541 | 0.1789692129 | 0.1779620537 | 0.1958269042 |
| 1.1553473721 | 0.1949068076 | 0.1942519442 | 0.1916256957 | 0.1864695065 | 0.1815573866 | 0.1781821309 | 0.1771840858 | 0.1948944487 |
| 1.1578865971 | 0.1939736442 | 0.1933257667 | 0.1907244352 | 0.1856135639 | 0.1807437522 | 0.1773984458 | 0.1764094484 | 0.1939663039 |
| 1.1604258221 | 0.1930451650 | 0.1924042205 | 0.1898276019 | 0.1847616371 | 0.1799337579 | 0.1766181651 | 0.1756381487 | 0.1930424757 |
| 1.1629650471 | 0.1921213720 | 0.1914873079 | 0.1889351986 | 0.1839137309 | 0.1791274100 | 0.1758412957 | 0.1748701941 | 0.1921229697 |
| 1.1655042721 | 0.1912022669 | 0.1905750307 | 0.1880472278 | 0.1830698499 | 0.1783247143 | 0.1750678441 | 0.1741055911 | 0.1912077906 |
| 1.1680434970 | 0.1902878509 | 0.1896673901 | 0.1871636917 | 0.1822299979 | 0.1775256764 | 0.1742978167 | 0.1733443460 | 0.1902969431 |
| 1.1705827220 | 0.1893781249 | 0.1887643872 | 0.1862845919 | 0.1813941786 | 0.1767303015 | 0.1735312190 | 0.1725864648 | 0.1893904312 |
| 1.1731219470 | 0.1884730892 | 0.1878660223 | 0.1854099296 | 0.1805623951 | 0.1759385942 | 0.1727680566 | 0.1718319530 | 0.1884882585 |
| 1.1756611720 | 0.1875727438 | 0.1869722955 | 0.1845397057 | 0.1797346502 | 0.1751505590 | 0.1720083344 | 0.1710808158 | 0.1875904280 |
| 1.1782003970 | 0.1866770883 | 0.1860832066 | 0.1836739205 | 0.1789109463 | 0.1743661997 | 0.1712520572 | 0.1703330579 | 0.1866969426 |
| 1.1807396220 | 0.1857861219 | 0.1851987547 | 0.1828125742 | 0.1780912853 | 0.1735855200 | 0.1704992292 | 0.1695886839 | 0.1858078043 |
| 1.1832788470 | 0.1848998431 | 0.1843189387 | 0.1819556663 | 0.1772756688 | 0.1728085230 | 0.1697498543 | 0.1688476978 | 0.1849230152 |
| 1.1858180720 | 0.1840182505 | 0.1834437570 | 0.1811031961 | 0.1764640981 | 0.1720352117 | 0.1690039361 | 0.1681101033 | 0.1840425765 |
| 1.1883572970 | 0.1831413418 | 0.1825732077 | 0.1802551626 | 0.1756565741 | 0.1712655884 | 0.1682614778 | 0.1673759039 | 0.1831664892 |
| 1.1908965220 | 0.1822691148 | 0.1817072886 | 0.1794115641 | 0.1748530971 | 0.1704996552 | 0.1675224823 | 0.1666451024 | 0.1822947540 |
| 1.1934357470 | 0.1814015665 | 0.1808459969 | 0.1785723989 | 0.1740536674 | 0.1697374140 | 0.1667869521 | 0.1659177017 | 0.1814273709 |
| 1.1959749720 | 0.1805386938 | 0.1799893295 | 0.1777376647 | 0.1732582846 | 0.1689788661 | 0.1660548894 | 0.1651937041 | 0.1805643397 |
| 1.1985141970 | 0.1796804931 | 0.1791372831 | 0.1769073588 | 0.1724669482 | 0.1682240126 | 0.1653262960 | 0.1644731116 | 0.1797056597 |
| 1.2010534220 | 0.1788269605 | 0.1782898539 | 0.1760814785 | 0.1716796573 | 0.1674728541 | 0.1646011734 | 0.1637559259 | 0.1788513300 |
| 1.2035926470 | 0.1779780918 | 0.1774470376 | 0.1752600204 | 0.1708964105 | 0.1667253912 | 0.1638795229 | 0.1630421484 | 0.1780013492 |
| 1.2061318719 | 0.1771338822 | 0.1766088300 | 0.1744429808 | 0.1701172063 | 0.1659816238 | 0.1631613452 | 0.1623317801 | 0.1771557153 |
| 1.2086710969 | 0.1762943269 | 0.1757752260 | 0.1736303559 | 0.1693420426 | 0.1652415516 | 0.1624466409 | 0.1616248217 | 0.1763144263 |
| 1.2112103219 | 0.1754594204 | 0.1749462206 | 0.1728221413 | 0.1685709173 | 0.1645051741 | 0.1617354103 | 0.1609212738 | 0.1754774796 |
| 1.2137495469 | 0.1746291573 | 0.1741218084 | 0.1720183324 | 0.1678038276 | 0.1637724903 | 0.1610276533 | 0.1602211363 | 0.1746448724 |
| 1.2162887719 | 0.1738035314 | 0.1733019834 | 0.1712189242 | 0.1670407708 | 0.1630434990 | 0.1603233695 | 0.1595244092 | 0.1738166013 |
| 1.2188279969 | 0.1729825365 | 0.1724867395 | 0.1704239117 | 0.1662817435 | 0.1623181986 | 0.1596225582 | 0.1588310920 | 0.1729926629 |
| 1.2213672219 | 0.1721661660 | 0.1716760704 | 0.1696332891 | 0.1655267422 | 0.1615965874 | 0.1589252184 | 0.1581411839 | 0.1721730530 |
| 1.2239064469 | 0.1713544130 | 0.1708699692 | 0.1688470506 | 0.1647757631 | 0.1608786632 | 0.1582313489 | 0.1574546839 | 0.1713577675 |
| 1.2264456719 | 0.1705472702 | 0.1700684289 | 0.1680651901 | 0.1640288021 | 0.1601644236 | 0.1575409482 | 0.1567715906 | 0.1705468018 |
| 1.2289848969 | 0.1697447301 | 0.1692714422 | 0.1672877011 | 0.1632858547 | 0.1594538658 | 0.1568540144 | 0.1560919024 | 0.1697401508 |
| 1.2315241219 | 0.1689467850 | 0.1684790014 | 0.1665145769 | 0.1625469162 | 0.1587469868 | 0.1561705454 | 0.1554156174 | 0.1689378094 |
| 1.2340633469 | 0.1681534266 | 0.1676910986 | 0.1657458105 | 0.1618119816 | 0.1580437834 | 0.1554905387 | 0.1547427335 | 0.1681397719 |
| 1.2366025719 | 0.1673646467 | 0.1669077256 | 0.1649813946 | 0.1610810457 | 0.1573442520 | 0.1548139919 | 0.1540732483 | 0.1673460326 |
| 1.2391417969 | 0.1665804365 | 0.1661288740 | 0.1642213216 | 0.1603541028 | 0.1566483888 | 0.1541409019 | 0.1534071590 | 0.1665565851 |
| 1.2416810219 | 0.1658007871 | 0.1653545349 | 0.1634655837 | 0.1596311473 | 0.1559561897 | 0.1534712656 | 0.1527444628 | 0.1657714229 |
| 1.2442202469 | 0.1650256893 | 0.1645846993 | 0.1627141728 | 0.1589121729 | 0.1552676504 | 0.1528050796 | 0.1520851564 | 0.1649905394 |
| 1.2467594718 | 0.1642551336 | 0.1638193581 | 0.1619670806 | 0.1581971734 | 0.1545827662 | 0.1521423402 | 0.1514292364 | 0.1642139275 |
| 1.2492986968 | 0.1634891104 | 0.1630585016 | 0.1612242984 | 0.1574861423 | 0.1539015322 | 0.1514830434 | 0.1507766991 | 0.1634415797 |
| 1.2518379218 | 0.1627276096 | 0.1623021201 | 0.1604858175 | 0.1567790726 | 0.1532239434 | 0.1508271851 | 0.1501275406 | 0.1626734884 |
| 1.2543771468 | 0.1619706210 | 0.1615502036 | 0.1597516286 | 0.1560759572 | 0.1525499945 | 0.1501747609 | 0.1494817567 | 0.1619096458 |
| 1.2569163718 | 0.1612181342 | 0.1608027418 | 0.1590217226 | 0.1553767890 | 0.1518796797 | 0.1495257661 | 0.1488393431 | 0.1611500436 |
| 1.2594555968 | 0.1604701385 | 0.1600597242 | 0.1582960898 | 0.1546815602 | 0.1512129934 | 0.1488801959 | 0.1482002951 | 0.1603946734 |
| 1.2619948218 | 0.1597266229 | 0.1593211402 | 0.1575747204 | 0.1539902632 | 0.1505499294 | 0.1482380452 | 0.1475646078 | 0.1596435266 |
| 1.2645340468 | 0.1589875763 | 0.1585869787 | 0.1568576046 | 0.1533028899 | 0.1498904815 | 0.1475993087 | 0.1469322762 | 0.1588965941 |
| 1.2670732718 | 0.1582529874 | 0.1578572286 | 0.1561447319 | 0.1526194321 | 0.1492346431 | 0.1469639808 | 0.1463032951 | 0.1581538669 |
| 1.2696124968 | 0.1575228445 | 0.1571318785 | 0.1554360921 | 0.1519398814 | 0.1485824076 | 0.1463320558 | 0.1456776588 | 0.1574153354 |
| 1.2721517218 | 0.1567971359 | 0.1564109169 | 0.1547316744 | 0.1512642291 | 0.1479337680 | 0.1457035277 | 0.1450553618 | 0.1566809900 |
| 1.2746909468 | 0.1560758495 | 0.1556943319 | 0.1540314681 | 0.1505924663 | 0.1472887172 | 0.1450783904 | 0.1444363982 | 0.1559508207 |
| 1.2772301718 | 0.1553589731 | 0.1549821116 | 0.1533354620 | 0.1499245840 | 0.1466472479 | 0.1444566375 | 0.1438207617 | 0.1552248176 |
| 1.2797693968 | 0.1546464944 | 0.1542742438 | 0.1526436449 | 0.1492605729 | 0.1460093524 | 0.1438382624 | 0.1432084461 | 0.1545029701 |
| 1.2823086218 | 0.1539384008 | 0.1535707161 | 0.1519560054 | 0.1486004235 | 0.1453750231 | 0.1432232585 | 0.1425994450 | 0.1537852678 |
| 1.2848478468 | 0.1532346795 | 0.1528715160 | 0.1512725319 | 0.1479441262 | 0.1447442519 | 0.1426116186 | 0.1419937516 | 0.1530716998 |
| 1.2873870717 | 0.1525353174 | 0.1521766307 | 0.1505932126 | 0.1472916712 | 0.1441170309 | 0.1420033358 | 0.1413913591 | 0.1523622553 |
| 1.2899262967 | 0.1518403016 | 0.1514860473 | 0.1499180355 | 0.1466430484 | 0.1434933517 | 0.1413984027 | 0.1407922605 | 0.1516569229 |
| 1.2924655217 | 0.1511496186 | 0.1507997527 | 0.1492469885 | 0.1459982477 | 0.1428732057 | 0.1407968118 | 0.1401964484 | 0.1509556913 |
| 1.2950047467 | 0.1504632550 | 0.1501177337 | 0.1485800592 | 0.1453572586 | 0.1422565844 | 0.1401985554 | 0.1396039155 | 0.1502585489 |
| 1.2975439717 | 0.1497811972 | 0.1494399768 | 0.1479172351 | 0.1447200707 | 0.1416434789 | 0.1396036257 | 0.1390146543 | 0.1495654840 |
| 1.3000831967 | 0.1491034314 | 0.1487664684 | 0.1472585037 | 0.1440866732 | 0.1410338801 | 0.1390120147 | 0.1384286570 | 0.1488764846 |
| 1.3026224217 | 0.1484299435 | 0.1480971949 | 0.1466038522 | 0.1434570552 | 0.1404277790 | 0.1384237143 | 0.1378459156 | 0.1481915385 |
| 1.3051616467 | 0.1477607195 | 0.1474321423 | 0.1459532675 | 0.1428312057 | 0.1398251662 | 0.1378387160 | 0.1372664223 | 0.1475106334 |
| 1.3077008717 | 0.1470957451 | 0.1467712966 | 0.1453067366 | 0.1422091136 | 0.1392260321 | 0.1372570114 | 0.1366901686 | 0.1468337570 |
| 1.3102400967 | 0.1464350059 | 0.1461146437 | 0.1446642462 | 0.1415907675 | 0.1386303672 | 0.1366785920 | 0.1361171464 | 0.1461608964 |
| 1.3127793217 | 0.1457784874 | 0.1454621692 | 0.1440257831 | 0.1409761559 | 0.1380381616 | 0.1361034488 | 0.1355473470 | 0.1454920390 |
| 1.3153185467 | 0.1451261750 | 0.1448138586 | 0.1433913335 | 0.1403652672 | 0.1374494054 | 0.1355315729 | 0.1349807618 | 0.1448271717 |
| 1.3178577717 | 0.1444780537 | 0.1441696975 | 0.1427608840 | 0.1397580896 | 0.1368640886 | 0.1349629553 | 0.1344173820 | 0.1441662813 |
| 1.3203969967 | 0.1438341087 | 0.1435296710 | 0.1421344207 | 0.1391546113 | 0.1362822008 | 0.1343975868 | 0.1338571986 | 0.1435093548 |
| 1.3229362217 | 0.1431943248 | 0.1428937644 | 0.1415119298 | 0.1385548202 | 0.1357037317 | 0.1338354579 | 0.1333002027 | 0.1428563785 |
| 1.3254754466 | 0.1425586871 | 0.1422619627 | 0.1408933971 | 0.1379587041 | 0.1351286709 | 0.1332765593 | 0.1327463849 | 0.1422073390 |
| 1.3280146716 | 0.1419271800 | 0.1416342508 | 0.1402788086 | 0.1373662509 | 0.1345570077 | 0.1327208812 | 0.1321957359 | 0.1415622225 |
| 1.3305538966 | 0.1412997883 | 0.1410106137 | 0.1396681501 | 0.1367774479 | 0.1339887313 | 0.1321684140 | 0.1316482463 | 0.1409210152 |
| 1.3330931216 | 0.1406764965 | 0.1403910359 | 0.1390614070 | 0.1361922828 | 0.1334238309 | 0.1316191478 | 0.1311039065 | 0.1402837032 |
| 1.3356323466 | 0.1400572888 | 0.1397755022 | 0.1384585651 | 0.1356107429 | 0.1328622954 | 0.1310730726 | 0.1305627067 | 0.1396502723 |
| 1.3381715716 | 0.1394421497 | 0.1391639970 | 0.1378596096 | 0.1350328155 | 0.1323041138 | 0.1305301782 | 0.1300246372 | 0.1390207083 |
| 1.3407107966 | 0.1388310632 | 0.1385565047 | 0.1372645260 | 0.1344584876 | 0.1317492749 | 0.1299904546 | 0.1294896881 | 0.1383949970 |
| 1.3432500216 | 0.1382240135 | 0.1379530097 | 0.1366732994 | 0.1338877464 | 0.1311977672 | 0.1294538912 | 0.1289578491 | 0.1377731238 |
| 1.3457892466 | 0.1376209846 | 0.1373534961 | 0.1360859150 | 0.1333205787 | 0.1306495794 | 0.1289204778 | 0.1284291103 | 0.1371550741 |
| 1.3483284716 | 0.1370219604 | 0.1367579483 | 0.1355023579 | 0.1327569715 | 0.1301046999 | 0.1283902037 | 0.1279034614 | 0.1365408334 |
| 1.3508676966 | 0.1364269247 | 0.1361663501 | 0.1349226129 | 0.1321969113 | 0.1295631170 | 0.1278630583 | 0.1273808919 | 0.1359303868 |
| 1.3534069216 | 0.1358358612 | 0.1355786856 | 0.1343466650 | 0.1316403850 | 0.1290248191 | 0.1273390309 | 0.1268613914 | 0.1353237195 |
| 1.3559461466 | 0.1352487538 | 0.1349949387 | 0.1337744990 | 0.1310873789 | 0.1284897942 | 0.1268181106 | 0.1263449494 | 0.1347208164 |
| 1.3584853716 | 0.1346655859 | 0.1344150932 | 0.1332060995 | 0.1305378797 | 0.1279580304 | 0.1263002866 | 0.1258315552 | 0.1341216626 |
| 1.3610245966 | 0.1340863410 | 0.1338391329 | 0.1326414513 | 0.1299918737 | 0.1274295157 | 0.1257855476 | 0.1253211981 | 0.1335262428 |
| 1.3635638216 | 0.1335110028 | 0.1332670414 | 0.1320805388 | 0.1294493472 | 0.1269042381 | 0.1252738828 | 0.1248138672 | 0.1329345418 |
| 1.3661030465 | 0.1329395544 | 0.1326988025 | 0.1315233467 | 0.1289102865 | 0.1263821852 | 0.1247652807 | 0.1243095516 | 0.1323465443 |
| 1.3686422715 | 0.1323719793 | 0.1321343995 | 0.1309698592 | 0.1283746776 | 0.1258633448 | 0.1242597303 | 0.1238082403 | 0.1317622348 |
| 1.3711814965 | 0.1318082608 | 0.1315738162 | 0.1304200608 | 0.1278425068 | 0.1253477045 | 0.1237572200 | 0.1233099222 | 0.1311815978 |
| 1.3737207215 | 0.1312483821 | 0.1310170358 | 0.1298739359 | 0.1273137599 | 0.1248352520 | 0.1232577385 | 0.1228145862 | 0.1306046179 |
| 1.3762599465 | 0.1306923263 | 0.1304640418 | 0.1293314686 | 0.1267884229 | 0.1243259747 | 0.1227612743 | 0.1223222211 | 0.1300312793 |
| 1.3787991715 | 0.1301400766 | 0.1299148176 | 0.1287926431 | 0.1262664818 | 0.1238198601 | 0.1222678157 | 0.1218328154 | 0.1294615663 |
| 1.3813383965 | 0.1295916160 | 0.1293693463 | 0.1282574437 | 0.1257479222 | 0.1233168954 | 0.1217773510 | 0.1213463579 | 0.1288954631 |
| 1.3838776215 | 0.1290469276 | 0.1288276114 | 0.1277258543 | 0.1252327301 | 0.1228170680 | 0.1212898687 | 0.1208628371 | 0.1283329540 |
| 1.3864168465 | 0.1285059943 | 0.1282895959 | 0.1271978591 | 0.1247208911 | 0.1223203651 | 0.1208053568 | 0.1203822414 | 0.1277740230 |
| 1.3889560715 | 0.1279687991 | 0.1277552831 | 0.1266734420 | 0.1242123909 | 0.1218267739 | 0.1203238035 | 0.1199045594 | 0.1272186541 |
| 1.3914952965 | 0.1274353248 | 0.1272246560 | 0.1261525871 | 0.1237072149 | 0.1213362815 | 0.1198451970 | 0.1194297793 | 0.1266668313 |
| 1.3940345215 | 0.1269055545 | 0.1266976978 | 0.1256352782 | 0.1232053489 | 0.1208488749 | 0.1193695251 | 0.1189578895 | 0.1261185386 |
| 1.3965737465 | 0.1263794709 | 0.1261743916 | 0.1251214992 | 0.1227067783 | 0.1203645411 | 0.1188967759 | 0.1184888781 | 0.1255737598 |
| 1.3991129715 | 0.1258570567 | 0.1256547202 | 0.1246112340 | 0.1222114885 | 0.1198832670 | 0.1184269373 | 0.1180227335 | 0.1250324788 |
| 1.4016521965 | 0.1253382949 | 0.1251386669 | 0.1241044663 | 0.1217194650 | 0.1194050397 | 0.1179599971 | 0.1175594437 | 0.1244946793 |
| 1.4041914214 | 0.1248231681 | 0.1246262144 | 0.1236011801 | 0.1212306931 | 0.1189298458 | 0.1174959432 | 0.1170989968 | 0.1239603452 |
| 1.4067306464 | 0.1243116592 | 0.1241173459 | 0.1231013590 | 0.1207451582 | 0.1184576722 | 0.1170347633 | 0.1166413808 | 0.1234294600 |
| 1.4092698714 | 0.1238037507 | 0.1236120441 | 0.1226049867 | 0.1202628456 | 0.1179885057 | 0.1165764452 | 0.1161865838 | 0.1229020075 |
| 1.4118090964 | 0.1232994254 | 0.1231102921 | 0.1221120470 | 0.1197837405 | 0.1175223329 | 0.1161209764 | 0.1157345936 | 0.1223779714 |
| 1.4143483214 | 0.1227986661 | 0.1226120726 | 0.1216225236 | 0.1193078282 | 0.1170591406 | 0.1156683447 | 0.1152853983 | 0.1218573351 |
| 1.4168875464 | 0.1223014553 | 0.1221173687 | 0.1211364001 | 0.1188350939 | 0.1165989154 | 0.1152185375 | 0.1148389855 | 0.1213400823 |
| 1.4194267714 | 0.1218077756 | 0.1216261631 | 0.1206536602 | 0.1183655227 | 0.1161416439 | 0.1147715426 | 0.1143953433 | 0.1208261965 |
| 1.4219659964 | 0.1213176099 | 0.1211384387 | 0.1201742875 | 0.1178990998 | 0.1156873126 | 0.1143273473 | 0.1139544592 | 0.1203156613 |
| 1.4245052214 | 0.1208309406 | 0.1206541783 | 0.1196982656 | 0.1174358103 | 0.1152359081 | 0.1138859391 | 0.1135163212 | 0.1198084601 |
| 1.4270444464 | 0.1203477505 | 0.1201733649 | 0.1192255782 | 0.1169756394 | 0.1147874170 | 0.1134473055 | 0.1130809169 | 0.1193045764 |
| 1.4295836714 | 0.1198680221 | 0.1196959811 | 0.1187562088 | 0.1165185720 | 0.1143418256 | 0.1130114339 | 0.1126482339 | 0.1188039936 |
| 1.4321228964 | 0.1193917380 | 0.1192220099 | 0.1182901410 | 0.1160645934 | 0.1138991205 | 0.1125783118 | 0.1122182601 | 0.1183066952 |
| 1.4346621214 | 0.1189188810 | 0.1187514341 | 0.1178273583 | 0.1156136884 | 0.1134592881 | 0.1121479263 | 0.1117909828 | 0.1178126645 |
| 1.4372013464 | 0.1184494335 | 0.1182842365 | 0.1173678445 | 0.1151658422 | 0.1130223147 | 0.1117202649 | 0.1113663899 | 0.1173218851 |
| 1.4397405714 | 0.1179833783 | 0.1178203998 | 0.1169115830 | 0.1147210397 | 0.1125881868 | 0.1112953149 | 0.1109444688 | 0.1168343402 |
| 1.4422797964 | 0.1175206980 | 0.1173599071 | 0.1164585573 | 0.1142792660 | 0.1121568908 | 0.1108730636 | 0.1105252070 | 0.1163500133 |
| 1.4448190213 | 0.1170613752 | 0.1169027410 | 0.1160087512 | 0.1138405061 | 0.1117284129 | 0.1104534982 | 0.1101085922 | 0.1158688877 |
| 1.4473582463 | 0.1166053925 | 0.1164488844 | 0.1155621481 | 0.1134047449 | 0.1113027396 | 0.1100366059 | 0.1096946118 | 0.1153909468 |
| 1.4498974713 | 0.1161527326 | 0.1159983202 | 0.1151187316 | 0.1129719675 | 0.1108798571 | 0.1096223740 | 0.1092832533 | 0.1149161740 |
| 1.4524366963 | 0.1157033782 | 0.1155510313 | 0.1146784853 | 0.1125421587 | 0.1104597517 | 0.1092107897 | 0.1088745042 | 0.1144445525 |
| 1.4549759213 | 0.1152573120 | 0.1151070004 | 0.1142413928 | 0.1121153036 | 0.1100424098 | 0.1088018401 | 0.1084683519 | 0.1139760658 |
| 1.4575151463 | 0.1148145166 | 0.1146662106 | 0.1138074376 | 0.1116913871 | 0.1096278175 | 0.1083955125 | 0.1080647838 | 0.1135106973 |
| 1.4600543713 | 0.1143749747 | 0.1142286446 | 0.1133766033 | 0.1112703942 | 0.1092159613 | 0.1079917940 | 0.1076637874 | 0.1130484301 |
| 1.4625935963 | 0.1139386691 | 0.1137942854 | 0.1129488736 | 0.1108523099 | 0.1088068273 | 0.1075906717 | 0.1072653501 | 0.1125892479 |
| 1.4651328213 | 0.1135055824 | 0.1133631159 | 0.1125242321 | 0.1104371190 | 0.1084004019 | 0.1071921329 | 0.1068694593 | 0.1121331338 |
| 1.4676720463 | 0.1130756976 | 0.1129351190 | 0.1121026624 | 0.1100248067 | 0.1079966712 | 0.1067961645 | 0.1064761024 | 0.1116800712 |
| 1.4702112713 | 0.1126489972 | 0.1125102778 | 0.1116841482 | 0.1096153578 | 0.1075956215 | 0.1064027539 | 0.1060852667 | 0.1112300436 |
| 1.4727504963 | 0.1122254642 | 0.1120885752 | 0.1112686730 | 0.1092087573 | 0.1071972391 | 0.1060118880 | 0.1056969396 | 0.1107830343 |
| 1.4752897213 | 0.1118050814 | 0.1116699942 | 0.1108562206 | 0.1088049902 | 0.1068015102 | 0.1056235539 | 0.1053111085 | 0.1103390268 |
| 1.4778289463 | 0.1113878315 | 0.1112545178 | 0.1104467746 | 0.1084040415 | 0.1064084210 | 0.1052377389 | 0.1049277608 | 0.1098980043 |
| 1.4803681713 | 0.1109736976 | 0.1108421291 | 0.1100403189 | 0.1080058962 | 0.1060179578 | 0.1048544299 | 0.1045468838 | 0.1094599504 |
| 1.4829073962 | 0.1105626623 | 0.1104328112 | 0.1096368370 | 0.1076105393 | 0.1056301069 | 0.1044736141 | 0.1041684649 | 0.1090248485 |
| 1.4854466212 | 0.1101547088 | 0.1100265471 | 0.1092363127 | 0.1072179558 | 0.1052448545 | 0.1040952787 | 0.1037924914 | 0.1085926821 |
| 1.4879858462 | 0.1097498199 | 0.1096233200 | 0.1088387299 | 0.1068281307 | 0.1048621868 | 0.1037194106 | 0.1034189506 | 0.1081634345 |
| 1.4905250712 | 0.1093479787 | 0.1092231130 | 0.1084440722 | 0.1064410491 | 0.1044820902 | 0.1033459970 | 0.1030478300 | 0.1077370893 |
| 1.4930642962 | 0.1089491680 | 0.1088259093 | 0.1080523236 | 0.1060566960 | 0.1041045508 | 0.1029750251 | 0.1026791168 | 0.1073136300 |
| 1.4956035212 | 0.1085533710 | 0.1084316921 | 0.1076634678 | 0.1056750564 | 0.1037295549 | 0.1026064818 | 0.1023127985 | 0.1068930402 |
| 1.4981427462 | 0.1081605708 | 0.1080404447 | 0.1072774886 | 0.1052961156 | 0.1033570889 | 0.1022403544 | 0.1019488624 | 0.1064753033 |
| 1.5006819712 | 0.1077707504 | 0.1076521503 | 0.1068943701 | 0.1049198585 | 0.1029871391 | 0.1018766299 | 0.1015872958 | 0.1060604029 |
| 1.5032211962 | 0.1073838930 | 0.1072667922 | 0.1065140961 | 0.1045462702 | 0.1026196916 | 0.1015152955 | 0.1012280861 | 0.1056483227 |
| 1.5057604212 | 0.1069999817 | 0.1068843539 | 0.1061366505 | 0.1041753360 | 0.1022547329 | 0.1011563382 | 0.1008712208 | 0.1052390462 |
| 1.5082996462 | 0.1066189998 | 0.1065048185 | 0.1057620173 | 0.1038070409 | 0.1018922492 | 0.1007997453 | 0.1005166871 | 0.1048325570 |
| 1.5108388712 | 0.1062409305 | 0.1061281696 | 0.1053901805 | 0.1034413702 | 0.1015322270 | 0.1004455039 | 0.1001644724 | 0.1044288390 |
| 1.5133780962 | 0.1058657570 | 0.1057543905 | 0.1050211241 | 0.1030783089 | 0.1011746525 | 0.1000936012 | 0.0998145642 | 0.1040278756 |
| 1.5159173212 | 0.1054934628 | 0.1053834648 | 0.1046548322 | 0.1027178424 | 0.1008195120 | 0.0997440242 | 0.0994669499 | 0.1036296507 |
| 1.5184565462 | 0.1051240311 | 0.1050153760 | 0.1042912888 | 0.1023599559 | 0.1004667921 | 0.0993967602 | 0.0991216169 | 0.1032341481 |
| 1.5209957712 | 0.1047574453 | 0.1046501075 | 0.1039304781 | 0.1020046346 | 0.1001164790 | 0.0990517964 | 0.0987785525 | 0.1028413514 |
| 1.5235349961 | 0.1043936889 | 0.1042876431 | 0.1035723843 | 0.1016518637 | 0.0997685592 | 0.0987091200 | 0.0984377443 | 0.1024512445 |
| 1.5260742211 | 0.1040327453 | 0.1039279662 | 0.1032169914 | 0.1013016287 | 0.0994230191 | 0.0983687181 | 0.0980991796 | 0.1020638113 |
| 1.5286134461 | 0.1036745980 | 0.1035710606 | 0.1028642838 | 0.1009539147 | 0.0990798452 | 0.0980305781 | 0.0977628460 | 0.1016790356 |
| 1.5311526711 | 0.1033192307 | 0.1032169100 | 0.1025142457 | 0.1006087073 | 0.0987390239 | 0.0976946871 | 0.0974287309 | 0.1012969013 |
| 1.5336918961 | 0.1029666268 | 0.1028654980 | 0.1021668612 | 0.1002659916 | 0.0984005417 | 0.0973610324 | 0.0970968218 | 0.1009173924 |
| 1.5362311211 | 0.1026167700 | 0.1025168085 | 0.1018221149 | 0.0999257532 | 0.0980643850 | 0.0970296013 | 0.0967671062 | 0.1005404928 |
| 1.5387703461 | 0.1022696440 | 0.1021708253 | 0.1014799910 | 0.0995879775 | 0.0977305405 | 0.0967003810 | 0.0964395716 | 0.1001661865 |
| 1.5413095711 | 0.1019252325 | 0.1018275323 | 0.1011404738 | 0.0992526499 | 0.0973989946 | 0.0963733590 | 0.0961142055 | 0.0997944576 |
| 1.5438487961 | 0.1015835192 | 0.1014869132 | 0.1008035479 | 0.0989197560 | 0.0970697339 | 0.0960485224 | 0.0957909956 | 0.0994252902 |
| 1.5463880211 | 0.1012444880 | 0.1011489522 | 0.1004691976 | 0.0985892811 | 0.0967427450 | 0.0957258586 | 0.0954699293 | 0.0990586683 |
| 1.5489272461 | 0.1009081227 | 0.1008136331 | 0.1001374076 | 0.0982612109 | 0.0964180145 | 0.0954053551 | 0.0951509943 | 0.0986945762 |
| 1.5514664711 | 0.1005744071 | 0.1004809400 | 0.0998081622 | 0.0979355309 | 0.0960955290 | 0.0950869991 | 0.0948341781 | 0.0983329980 |
| 1.5540056961 | 0.1002433253 | 0.1001508570 | 0.0994814461 | 0.0976122267 | 0.0957752752 | 0.0947707780 | 0.0945194683 | 0.0979739179 |
| 1.5565449211 | 0.0999148611 | 0.0998233681 | 0.0991572439 | 0.0972912839 | 0.0954572397 | 0.0944566793 | 0.0942068527 | 0.0976173202 |
| 1.5590841461 | 0.0995889987 | 0.0994984575 | 0.0988355402 | 0.0969726883 | 0.0951414092 | 0.0941446905 | 0.0938963187 | 0.0972631892 |
| 1.5616233711 | 0.0992657220 | 0.0991761094 | 0.0985163197 | 0.0966564254 | 0.0948277705 | 0.0938347989 | 0.0935878542 | 0.0969115092 |
| 1.5641625960 | 0.0989450152 | 0.0988563080 | 0.0981995671 | 0.0963424810 | 0.0945163103 | 0.0935269920 | 0.0932814469 | 0.0965622647 |
| 1.5667018210 | 0.0986268624 | 0.0985390377 | 0.0978852672 | 0.0960308408 | 0.0942070154 | 0.0932212574 | 0.0929770843 | 0.0962154400 |
| 1.5692410460 | 0.0983112479 | 0.0982242827 | 0.0975734048 | 0.0957214907 | 0.0938998725 | 0.0929175825 | 0.0926747543 | 0.0958710196 |
| 1.5717802710 | 0.0979981558 | 0.0979120274 | 0.0972639647 | 0.0954144163 | 0.0935948685 | 0.0926159548 | 0.0923744446 | 0.0955289880 |
| 1.5743194960 | 0.0976875705 | 0.0976022562 | 0.0969569317 | 0.0951096037 | 0.0932919903 | 0.0923163621 | 0.0920761430 | 0.0951893297 |
| 1.5768587210 | 0.0973794763 | 0.0972949536 | 0.0966522909 | 0.0948070385 | 0.0929912246 | 0.0920187918 | 0.0917798373 | 0.0948520294 |
| 1.5793979460 | 0.0970738575 | 0.0969901041 | 0.0963500271 | 0.0945067068 | 0.0926925584 | 0.0917232315 | 0.0914855152 | 0.0945170716 |
| 1.5819371710 | 0.0967706987 | 0.0966876922 | 0.0960501254 | 0.0942085945 | 0.0923959787 | 0.0914296689 | 0.0911931648 | 0.0941844410 |
| 1.5844763960 | 0.0964699842 | 0.0963877025 | 0.0957525708 | 0.0939126874 | 0.0921014723 | 0.0911380916 | 0.0909027737 | 0.0938541224 |
| 1.5870156210 | 0.0961716986 | 0.0960901196 | 0.0954573483 | 0.0936189718 | 0.0918090263 | 0.0908484873 | 0.0906143299 | 0.0935261005 |
| 1.5895548460 | 0.0958758265 | 0.0957949283 | 0.0951644430 | 0.0933274334 | 0.0915186276 | 0.0905608437 | 0.0903278213 | 0.0932003600 |
| 1.5920940710 | 0.0955823525 | 0.0955021132 | 0.0948738402 | 0.0930380585 | 0.0912302633 | 0.0902751485 | 0.0900432359 | 0.0928768859 |
| 1.5946332960 | 0.0952912611 | 0.0952116591 | 0.0945855249 | 0.0927508332 | 0.0909439205 | 0.0899913896 | 0.0897605615 | 0.0925556630 |
| 1.5971725210 | 0.0950025372 | 0.0949235508 | 0.0942994825 | 0.0924657434 | 0.0906595862 | 0.0897095545 | 0.0894797862 | 0.0922366761 |
| 1.5997117460 | 0.0947161655 | 0.0946377732 | 0.0940156982 | 0.0921827755 | 0.0903772476 | 0.0894296312 | 0.0892008980 | 0.0919199104 |
| 1.6022509709 | 0.0944321307 | 0.0943543112 | 0.0937341573 | 0.0919019156 | 0.0900968917 | 0.0891516075 | 0.0889238848 | 0.0916053508 |
| 1.6047901959 | 0.0941504177 | 0.0940731497 | 0.0934548452 | 0.0916231500 | 0.0898185058 | 0.0888754712 | 0.0886487348 | 0.0912929823 |
| 1.6073294209 | 0.0938710114 | 0.0937942736 | 0.0931777472 | 0.0913464648 | 0.0895420771 | 0.0886012102 | 0.0883754360 | 0.0909827901 |
| 1.6098686459 | 0.0935938967 | 0.0935176681 | 0.0929028488 | 0.0910718465 | 0.0892675928 | 0.0883288123 | 0.0881039765 | 0.0906747592 |
| 1.6124078709 | 0.0933190586 | 0.0932433182 | 0.0926301354 | 0.0907992812 | 0.0889950402 | 0.0880582656 | 0.0878343444 | 0.0903688749 |
| 1.6149470959 | 0.0930464821 | 0.0929712090 | 0.0923595926 | 0.0905287555 | 0.0887244065 | 0.0877895580 | 0.0875665279 | 0.0900651225 |
| 1.6174863209 | 0.0927761523 | 0.0927013257 | 0.0920912059 | 0.0902602556 | 0.0884556791 | 0.0875226773 | 0.0873005152 | 0.0897634871 |
| 1.6200255459 | 0.0925080543 | 0.0924336535 | 0.0918249608 | 0.0899937681 | 0.0881888453 | 0.0872576117 | 0.0870362943 | 0.0894639542 |
| 1.6225647709 | 0.0922421732 | 0.0921681777 | 0.0915608431 | 0.0897292793 | 0.0879238925 | 0.0869943492 | 0.0867738537 | 0.0891665090 |
| 1.6251039959 | 0.0919784942 | 0.0919048835 | 0.0912988383 | 0.0894667758 | 0.0876608080 | 0.0867328778 | 0.0865131815 | 0.0888711369 |
| 1.6276432209 | 0.0917170026 | 0.0916437562 | 0.0910389322 | 0.0892062441 | 0.0873995794 | 0.0864731856 | 0.0862542659 | 0.0885778235 |
| 1.6301824459 | 0.0914576837 | 0.0913847813 | 0.0907811105 | 0.0889476707 | 0.0871401940 | 0.0862152606 | 0.0859970953 | 0.0882865542 |
| 1.6327216709 | 0.0912005228 | 0.0911279441 | 0.0905253590 | 0.0886910423 | 0.0868826395 | 0.0859590911 | 0.0857416580 | 0.0879973146 |
| 1.6352608959 | 0.0909455052 | 0.0908732302 | 0.0902716635 | 0.0884363454 | 0.0866269032 | 0.0857046652 | 0.0854879423 | 0.0877100902 |
| 1.6378001209 | 0.0906926165 | 0.0906206250 | 0.0900200098 | 0.0881835668 | 0.0863729727 | 0.0854519710 | 0.0852359367 | 0.0874248667 |
| 1.6403393459 | 0.0904418420 | 0.0903701141 | 0.0897703839 | 0.0879326932 | 0.0861208356 | 0.0852009968 | 0.0849856294 | 0.0871416298 |
| 1.6428785708 | 0.0901931673 | 0.0901216831 | 0.0895227718 | 0.0876837111 | 0.0858704795 | 0.0849517308 | 0.0847370090 | 0.0868603651 |
| 1.6454177958 | 0.0899465778 | 0.0898753176 | 0.0892771592 | 0.0874366075 | 0.0856218921 | 0.0847041612 | 0.0844900638 | 0.0865810584 |
| 1.6479570208 | 0.0897020593 | 0.0896310032 | 0.0890335323 | 0.0871913690 | 0.0853750610 | 0.0844582764 | 0.0842447824 | 0.0863036956 |
| 1.6504962458 | 0.0894595973 | 0.0893887257 | 0.0887918772 | 0.0869479826 | 0.0851299739 | 0.0842140646 | 0.0840011532 | 0.0860282625 |
| 1.6530354708 | 0.0892191775 | 0.0891484709 | 0.0885521798 | 0.0867064351 | 0.0848866185 | 0.0839715143 | 0.0837591648 | 0.0857547449 |
| 1.6555746958 | 0.0889807856 | 0.0889102244 | 0.0883144263 | 0.0864667133 | 0.0846449826 | 0.0837306137 | 0.0835188056 | 0.0854831289 |
| 1.6581139208 | 0.0887444074 | 0.0886739723 | 0.0880786029 | 0.0862288041 | 0.0844050539 | 0.0834913512 | 0.0832800644 | 0.0852134003 |
| 1.6606531458 | 0.0885100286 | 0.0884397003 | 0.0878446957 | 0.0859926946 | 0.0841668202 | 0.0832537153 | 0.0830429296 | 0.0849455453 |
| 1.6631923708 | 0.0882776352 | 0.0882073943 | 0.0876126909 | 0.0857583717 | 0.0839302694 | 0.0830176944 | 0.0828073899 | 0.0846795499 |
| 1.6657315958 | 0.0880472129 | 0.0879770403 | 0.0873825749 | 0.0855258223 | 0.0836953894 | 0.0827832770 | 0.0825734339 | 0.0844154002 |
| 1.6682708208 | 0.0878187478 | 0.0877486243 | 0.0871543339 | 0.0852950337 | 0.0834621680 | 0.0825504515 | 0.0823410504 | 0.0841530823 |
| 1.6708100458 | 0.0875922257 | 0.0875221323 | 0.0869279543 | 0.0850659927 | 0.0832305931 | 0.0823192066 | 0.0821102279 | 0.0838925825 |
| 1.6733492708 | 0.0873676327 | 0.0872975503 | 0.0867034223 | 0.0848386866 | 0.0830006528 | 0.0820895306 | 0.0818809553 | 0.0836338870 |
| 1.6758884958 | 0.0871449547 | 0.0870748646 | 0.0864807245 | 0.0846131024 | 0.0827723349 | 0.0818614122 | 0.0816532212 | 0.0833769822 |
| 1.6784277208 | 0.0869241779 | 0.0868540611 | 0.0862598472 | 0.0843892273 | 0.0825456274 | 0.0816348400 | 0.0814270145 | 0.0831218542 |
| 1.6809669457 | 0.0867052884 | 0.0866351262 | 0.0860407769 | 0.0841670486 | 0.0823205185 | 0.0814098027 | 0.0812023239 | 0.0828684895 |
| 1.6835061707 | 0.0864882723 | 0.0864180460 | 0.0858235001 | 0.0839465534 | 0.0820969961 | 0.0811862887 | 0.0809791383 | 0.0826168745 |
| 1.6860453957 | 0.0862731158 | 0.0862028067 | 0.0856080033 | 0.0837277289 | 0.0818750483 | 0.0809642869 | 0.0807574464 | 0.0823669957 |
| 1.6885846207 | 0.0860598052 | 0.0859893946 | 0.0853942731 | 0.0835105626 | 0.0816546633 | 0.0807437859 | 0.0805372372 | 0.0821188396 |
| 1.6911238457 | 0.0858483266 | 0.0857777961 | 0.0851822961 | 0.0832950416 | 0.0814358291 | 0.0805247744 | 0.0803184996 | 0.0818723926 |
| 1.6936630707 | 0.0856386664 | 0.0855679975 | 0.0849720589 | 0.0830811533 | 0.0812185340 | 0.0803072412 | 0.0801012224 | 0.0816276414 |
| 1.6962022957 | 0.0854308109 | 0.0853599852 | 0.0847635482 | 0.0828688851 | 0.0810027662 | 0.0800911751 | 0.0798853946 | 0.0813845727 |
| 1.6987415207 | 0.0852247465 | 0.0851537456 | 0.0845567507 | 0.0826582244 | 0.0807885137 | 0.0798765648 | 0.0796710052 | 0.0811431730 |
| 1.7012807457 | 0.0850204596 | 0.0849492652 | 0.0843516530 | 0.0824491586 | 0.0805757650 | 0.0796633991 | 0.0794580431 | 0.0809034291 |
| 1.7038199707 | 0.0848179366 | 0.0847465305 | 0.0841482420 | 0.0822416752 | 0.0803645082 | 0.0794516670 | 0.0792464974 | 0.0806653277 |
| 1.7063591957 | 0.0846171639 | 0.0845455280 | 0.0839465044 | 0.0820357616 | 0.0801547317 | 0.0792413572 | 0.0790363571 | 0.0804288556 |
| 1.7088984207 | 0.0844181282 | 0.0843462442 | 0.0837464271 | 0.0818314053 | 0.0799464238 | 0.0790324586 | 0.0788276113 | 0.0801939997 |
| 1.7114376457 | 0.0842208158 | 0.0841486657 | 0.0835479967 | 0.0816285940 | 0.0797395727 | 0.0788249602 | 0.0786202489 | 0.0799607468 |
| 1.7139768707 | 0.0840252134 | 0.0839527792 | 0.0833512004 | 0.0814273150 | 0.0795341670 | 0.0786188510 | 0.0784142592 | 0.0797290838 |
| 1.7165160957 | 0.0838313076 | 0.0837585712 | 0.0831560248 | 0.0812275561 | 0.0793301949 | 0.0784141197 | 0.0782096312 | 0.0794989976 |
| 1.7190553207 | 0.0836390850 | 0.0835660286 | 0.0829624571 | 0.0810293048 | 0.0791276450 | 0.0782107556 | 0.0780063542 | 0.0792704754 |
| 1.7215945456 | 0.0834485322 | 0.0833751379 | 0.0827704840 | 0.0808325488 | 0.0789265056 | 0.0780087474 | 0.0778044172 | 0.0790435040 |
| 1.7241337706 | 0.0832596360 | 0.0831858859 | 0.0825800926 | 0.0806372757 | 0.0787267653 | 0.0778080844 | 0.0776038095 | 0.0788180706 |
| 1.7266729956 | 0.0830723831 | 0.0829982595 | 0.0823912699 | 0.0804434733 | 0.0785284124 | 0.0776087554 | 0.0774045202 | 0.0785941623 |
| 1.7292122206 | 0.0828867602 | 0.0828122453 | 0.0822040030 | 0.0802511292 | 0.0783314356 | 0.0774107497 | 0.0772065387 | 0.0783717662 |
| 1.7317514456 | 0.0827027540 | 0.0826278302 | 0.0820182788 | 0.0800602311 | 0.0781358234 | 0.0772140563 | 0.0770098541 | 0.0781508694 |
| 1.7342906706 | 0.0825203515 | 0.0824450011 | 0.0818340846 | 0.0798707670 | 0.0779415643 | 0.0770186643 | 0.0768144558 | 0.0779314594 |
| 1.7368298956 | 0.0823395395 | 0.0822637449 | 0.0816514073 | 0.0796827244 | 0.0777486470 | 0.0768245629 | 0.0766203330 | 0.0777135232 |
| 1.7393691206 | 0.0821603047 | 0.0820840484 | 0.0814702341 | 0.0794960913 | 0.0775570600 | 0.0766317412 | 0.0764274751 | 0.0774970481 |
| 1.7419083456 | 0.0819826342 | 0.0819058985 | 0.0812905522 | 0.0793108555 | 0.0773667921 | 0.0764401884 | 0.0762358715 | 0.0772820217 |
| 1.7444475706 | 0.0818065147 | 0.0817292824 | 0.0811123488 | 0.0791270048 | 0.0771778317 | 0.0762498938 | 0.0760455114 | 0.0770684311 |
| 1.7469867956 | 0.0816319334 | 0.0815541868 | 0.0809356111 | 0.0789445271 | 0.0769901677 | 0.0760608465 | 0.0758563843 | 0.0768562638 |
| 1.7495260206 | 0.0814588770 | 0.0813805990 | 0.0807603263 | 0.0787634104 | 0.0768037888 | 0.0758730358 | 0.0756684796 | 0.0766455074 |
| 1.7520652456 | 0.0812873327 | 0.0812085057 | 0.0805864817 | 0.0785836425 | 0.0766186836 | 0.0756864510 | 0.0754817867 | 0.0764361491 |
| 1.7546044706 | 0.0811172875 | 0.0810378943 | 0.0804140645 | 0.0784052114 | 0.0764348410 | 0.0755010813 | 0.0752962950 | 0.0762281767 |
| 1.7571436956 | 0.0809487283 | 0.0808687516 | 0.0802430620 | 0.0782281051 | 0.0762522496 | 0.0753169162 | 0.0751119941 | 0.0760215776 |
| 1.7596829205 | 0.0807816424 | 0.0807010649 | 0.0800734616 | 0.0780523116 | 0.0760708983 | 0.0751339448 | 0.0749288734 | 0.0758163395 |
| 1.7622221455 | 0.0806160166 | 0.0805348213 | 0.0799052507 | 0.0778778188 | 0.0758907759 | 0.0749521566 | 0.0747469224 | 0.0756124499 |
| 1.7647613705 | 0.0804518383 | 0.0803700079 | 0.0797384165 | 0.0777046149 | 0.0757118713 | 0.0747715410 | 0.0745661307 | 0.0754098965 |
| 1.7673005955 | 0.0802890945 | 0.0802066119 | 0.0795729464 | 0.0775326878 | 0.0755341732 | 0.0745920874 | 0.0743864878 | 0.0752086672 |
| 1.7698398205 | 0.0801277723 | 0.0800446204 | 0.0794088280 | 0.0773620257 | 0.0753576707 | 0.0744137850 | 0.0742079833 | 0.0750087495 |
| 1.7723790455 | 0.0799678590 | 0.0798840208 | 0.0792460485 | 0.0771926167 | 0.0751823525 | 0.0742366235 | 0.0740306067 | 0.0748101313 |
| 1.7749182705 | 0.0798093418 | 0.0797248002 | 0.0790845955 | 0.0770244488 | 0.0750082076 | 0.0740605923 | 0.0738543478 | 0.0746128003 |
| 1.7774574955 | 0.0796522079 | 0.0795669459 | 0.0789244564 | 0.0768575102 | 0.0748352250 | 0.0738856808 | 0.0736791960 | 0.0744167445 |
| 1.7799967205 | 0.0794964445 | 0.0794104452 | 0.0787656186 | 0.0766917890 | 0.0746633935 | 0.0737118785 | 0.0735051411 | 0.0742219517 |
| 1.7825359455 | 0.0793420389 | 0.0792552854 | 0.0786080698 | 0.0765272735 | 0.0744927023 | 0.0735391749 | 0.0733321727 | 0.0740284098 |
| 1.7850751705 | 0.0791889784 | 0.0791014538 | 0.0784517974 | 0.0763639518 | 0.0743231402 | 0.0733675596 | 0.0731602805 | 0.0738361068 |
| 1.7876143955 | 0.0790372503 | 0.0789489377 | 0.0782967889 | 0.0762018122 | 0.0741546963 | 0.0731970222 | 0.0729894542 | 0.0736450306 |
| 1.7901536205 | 0.0788868419 | 0.0787977246 | 0.0781430319 | 0.0760408429 | 0.0739873597 | 0.0730275522 | 0.0728196836 | 0.0734551693 |
| 1.7926928455 | 0.0787377406 | 0.0786478017 | 0.0779905141 | 0.0758810320 | 0.0738211194 | 0.0728591391 | 0.0726509583 | 0.0732665109 |
| 1.7952320705 | 0.0785899337 | 0.0784991564 | 0.0778392228 | 0.0757223680 | 0.0736559645 | 0.0726917727 | 0.0724832682 | 0.0730790435 |
| 1.7977712955 | 0.0784434085 | 0.0783517762 | 0.0776891459 | 0.0755648391 | 0.0734918841 | 0.0725254425 | 0.0723166029 | 0.0728927553 |
| 1.8003105204 | 0.0782981526 | 0.0782056485 | 0.0775402709 | 0.0754084336 | 0.0733288673 | 0.0723601382 | 0.0721509524 | 0.0727076343 |
| 1.8028497454 | 0.0781541532 | 0.0780607608 | 0.0773925854 | 0.0752531397 | 0.0731669033 | 0.0721958494 | 0.0719863064 | 0.0725236687 |
| 1.8053889704 | 0.0780113979 | 0.0779171004 | 0.0772460771 | 0.0750989460 | 0.0730059812 | 0.0720325659 | 0.0718226548 | 0.0723408468 |
| 1.8079281954 | 0.0778698741 | 0.0777746548 | 0.0771007336 | 0.0749458406 | 0.0728460901 | 0.0718702773 | 0.0716599873 | 0.0721591569 |
| 1.8104674204 | 0.0777295691 | 0.0776334117 | 0.0769565427 | 0.0747938120 | 0.0726872193 | 0.0717089734 | 0.0714982939 | 0.0719785871 |
| 1.8130066454 | 0.0775904706 | 0.0774933583 | 0.0768134921 | 0.0746428486 | 0.0725293580 | 0.0715486438 | 0.0713375645 | 0.0717991259 |
| 1.8155458704 | 0.0774525660 | 0.0773544823 | 0.0766715694 | 0.0744929387 | 0.0723724954 | 0.0713892785 | 0.0711777889 | 0.0716207615 |
| 1.8180850954 | 0.0773158427 | 0.0772167713 | 0.0765307624 | 0.0743440709 | 0.0722166208 | 0.0712308670 | 0.0710189571 | 0.0714434823 |
| 1.8206243204 | 0.0771802883 | 0.0770802126 | 0.0763910588 | 0.0741962335 | 0.0720617234 | 0.0710733992 | 0.0708610590 | 0.0712672768 |
| 1.8231635454 | 0.0770458904 | 0.0769447939 | 0.0762524464 | 0.0740494150 | 0.0719077925 | 0.0709168650 | 0.0707040846 | 0.0710921334 |
| 1.8257027704 | 0.0769126364 | 0.0768105029 | 0.0761149129 | 0.0739036039 | 0.0717548174 | 0.0707612541 | 0.0705480239 | 0.0709180405 |
| 1.8282419954 | 0.0767805140 | 0.0766773269 | 0.0759784462 | 0.0737587886 | 0.0716027875 | 0.0706065565 | 0.0703928667 | 0.0707449867 |
| 1.8307812204 | 0.0766495107 | 0.0765452537 | 0.0758430340 | 0.0736149576 | 0.0714516920 | 0.0704527618 | 0.0702386032 | 0.0705729605 |
| 1.8333204454 | 0.0765196140 | 0.0764142709 | 0.0757086641 | 0.0734720995 | 0.0713015203 | 0.0702998602 | 0.0700852234 | 0.0704019504 |
| 1.8358596704 | 0.0763908116 | 0.0762843660 | 0.0755753244 | 0.0733302029 | 0.0711522618 | 0.0701478413 | 0.0699327172 | 0.0702319451 |
| 1.8383988954 | 0.0762630910 | 0.0761555267 | 0.0754430026 | 0.0731892561 | 0.0710039059 | 0.0699966952 | 0.0697810748 | 0.0700629331 |
| 1.8409381203 | 0.0761364400 | 0.0760277407 | 0.0753116867 | 0.0730492479 | 0.0708564420 | 0.0698464118 | 0.0696302863 | 0.0698949032 |
| 1.8434773453 | 0.0760108460 | 0.0759009955 | 0.0751813644 | 0.0729101667 | 0.0707098595 | 0.0696969810 | 0.0694803417 | 0.0697278440 |
| 1.8460165703 | 0.0758862968 | 0.0757752790 | 0.0750520236 | 0.0727720013 | 0.0705641479 | 0.0695483928 | 0.0693312311 | 0.0695617443 |
| 1.8485557953 | 0.0757627800 | 0.0756505786 | 0.0749236523 | 0.0726347401 | 0.0704192965 | 0.0694006371 | 0.0691829446 | 0.0693965928 |
| 1.8510950203 | 0.0756402833 | 0.0755268822 | 0.0747962383 | 0.0724983717 | 0.0702752949 | 0.0692537040 | 0.0690354725 | 0.0692323782 |
| 1.8536342453 | 0.0755187942 | 0.0754041774 | 0.0746697694 | 0.0723628850 | 0.0701321326 | 0.0691075836 | 0.0688888048 | 0.0690690895 |
| 1.8561734703 | 0.0753983005 | 0.0752824520 | 0.0745442337 | 0.0722282683 | 0.0699897990 | 0.0689622657 | 0.0687429317 | 0.0689067153 |
| 1.8587126953 | 0.0752787899 | 0.0751616935 | 0.0744196190 | 0.0720945106 | 0.0698482838 | 0.0688177405 | 0.0685978435 | 0.0687452447 |
| 1.8612519203 | 0.0751602501 | 0.0750418899 | 0.0742959132 | 0.0719616003 | 0.0697075764 | 0.0686739980 | 0.0684535302 | 0.0685846665 |
| 1.8637911453 | 0.0750426687 | 0.0749230287 | 0.0741731043 | 0.0718295263 | 0.0695676663 | 0.0685310283 | 0.0683099823 | 0.0684249696 |
| 1.8663303703 | 0.0749260336 | 0.0748050977 | 0.0740511802 | 0.0716982771 | 0.0694285433 | 0.0683888216 | 0.0681671898 | 0.0682661430 |
| 1.8688695953 | 0.0748103323 | 0.0746880847 | 0.0739301290 | 0.0715678416 | 0.0692901968 | 0.0682473678 | 0.0680251431 | 0.0681081757 |
| 1.8714088203 | 0.0746955526 | 0.0745719775 | 0.0738099385 | 0.0714382085 | 0.0691526164 | 0.0681066573 | 0.0678838324 | 0.0679510567 |
| 1.8739480453 | 0.0745816823 | 0.0744567638 | 0.0736905967 | 0.0713093664 | 0.0690157919 | 0.0679666800 | 0.0677432481 | 0.0677947750 |
| 1.8764872703 | 0.0744687091 | 0.0743424314 | 0.0735720917 | 0.0711813042 | 0.0688797127 | 0.0678274263 | 0.0676033804 | 0.0676393198 |
| 1.8790264952 | 0.0743566208 | 0.0742289680 | 0.0734544114 | 0.0710540107 | 0.0687443687 | 0.0676888862 | 0.0674642196 | 0.0674846802 |
| 1.8815657202 | 0.0742454051 | 0.0741163615 | 0.0733375439 | 0.0709274745 | 0.0686097494 | 0.0675510500 | 0.0673257561 | 0.0673308452 |
| 1.8841049452 | 0.0741350498 | 0.0740045996 | 0.0732214771 | 0.0708016846 | 0.0684758446 | 0.0674139079 | 0.0671879803 | 0.0671778042 |
| 1.8866441702 | 0.0740255426 | 0.0738936702 | 0.0731061991 | 0.0706766298 | 0.0683426439 | 0.0672774501 | 0.0670508826 | 0.0670255462 |
| 1.8891833952 | 0.0739168714 | 0.0737835611 | 0.0729916979 | 0.0705522988 | 0.0682101372 | 0.0671416669 | 0.0669144532 | 0.0668740605 |
| 1.8917226202 | 0.0738090239 | 0.0736742601 | 0.0728779615 | 0.0704286805 | 0.0680783140 | 0.0670065485 | 0.0667786827 | 0.0667233363 |
| 1.8942618452 | 0.0737019880 | 0.0735657550 | 0.0727649781 | 0.0703057638 | 0.0679471643 | 0.0668720853 | 0.0666435615 | 0.0665733631 |
| 1.8968010702 | 0.0735957513 | 0.0734580337 | 0.0726527356 | 0.0701835376 | 0.0678166777 | 0.0667382675 | 0.0665090800 | 0.0664241300 |
| 1.8993402952 | 0.0734903018 | 0.0733510840 | 0.0725412222 | 0.0700619907 | 0.0676868441 | 0.0666050855 | 0.0663752287 | 0.0662756264 |
| 1.9018795202 | 0.0733856273 | 0.0732448938 | 0.0724304260 | 0.0699411120 | 0.0675576533 | 0.0664725297 | 0.0662419980 | 0.0661278418 |
| 1.9044187452 | 0.0732817155 | 0.0731394509 | 0.0723203350 | 0.0698208904 | 0.0674290951 | 0.0663405903 | 0.0661093786 | 0.0659807655 |
| 1.9069579702 | 0.0731785543 | 0.0730347431 | 0.0722109373 | 0.0697013150 | 0.0673011593 | 0.0662092577 | 0.0659773608 | 0.0658343870 |
| 1.9094971952 | 0.0730761316 | 0.0729307585 | 0.0721022210 | 0.0695823745 | 0.0671738358 | 0.0660785224 | 0.0658459352 | 0.0656886958 |
| 1.9120364202 | 0.0729744352 | 0.0728274848 | 0.0719941743 | 0.0694640581 | 0.0670471146 | 0.0659483748 | 0.0657150924 | 0.0655436813 |
| 1.9145756452 | 0.0728734528 | 0.0727249099 | 0.0718867853 | 0.0693463546 | 0.0669209855 | 0.0658188053 | 0.0655848229 | 0.0653993331 |
| 1.9171148702 | 0.0727731725 | 0.0726230218 | 0.0717800421 | 0.0692292530 | 0.0667954384 | 0.0656898043 | 0.0654551174 | 0.0652556407 |
| 1.9196540951 | 0.0726735820 | 0.0725218083 | 0.0716739330 | 0.0691127424 | 0.0666704632 | 0.0655613624 | 0.0653259665 | 0.0651125939 |
| 1.9221933201 | 0.0725746693 | 0.0724212573 | 0.0715684459 | 0.0689968117 | 0.0665460500 | 0.0654334700 | 0.0651973607 | 0.0649701821 |
| 1.9247325451 | 0.0724764221 | 0.0723213568 | 0.0714635692 | 0.0688814501 | 0.0664221887 | 0.0653061176 | 0.0650692907 | 0.0648283951 |
| 1.9272717701 | 0.0723788284 | 0.0722220947 | 0.0713592910 | 0.0687666465 | 0.0662988693 | 0.0651792958 | 0.0649417472 | 0.0646872226 |
| 1.9298109951 | 0.0722818761 | 0.0721234590 | 0.0712555995 | 0.0686523900 | 0.0661760818 | 0.0650529950 | 0.0648147209 | 0.0645466542 |
| 1.9323502201 | 0.0721855530 | 0.0720254375 | 0.0711524829 | 0.0685386698 | 0.0660538163 | 0.0649272060 | 0.0646882025 | 0.0644066798 |
| 1.9348894451 | 0.0720898472 | 0.0719280182 | 0.0710499294 | 0.0684254748 | 0.0659320627 | 0.0648019192 | 0.0645621827 | 0.0642672891 |
| 1.9374286701 | 0.0719947464 | 0.0718311891 | 0.0709479272 | 0.0683127943 | 0.0658108112 | 0.0646771252 | 0.0644366523 | 0.0641284719 |
| 1.9399678951 | 0.0719002386 | 0.0717349382 | 0.0708464646 | 0.0682006174 | 0.0656900519 | 0.0645528148 | 0.0643116020 | 0.0639902182 |
| 1.9425071201 | 0.0718063117 | 0.0716392534 | 0.0707455298 | 0.0680889331 | 0.0655697749 | 0.0644289785 | 0.0641870226 | 0.0638525177 |
| 1.9450463451 | 0.0717129537 | 0.0715441227 | 0.0706451111 | 0.0679777308 | 0.0654499703 | 0.0643056071 | 0.0640629050 | 0.0637153604 |
| 1.9475855701 | 0.0716201526 | 0.0714495341 | 0.0705451968 | 0.0678669995 | 0.0653306283 | 0.0641826911 | 0.0639392399 | 0.0635787363 |
| 1.9501247951 | 0.0715278962 | 0.0713554756 | 0.0704457751 | 0.0677567285 | 0.0652117390 | 0.0640602214 | 0.0638160182 | 0.0634426354 |
| 1.9526640201 | 0.0714361725 | 0.0712619353 | 0.0703468344 | 0.0676469070 | 0.0650932927 | 0.0639381887 | 0.0636932307 | 0.0633070476 |
| 1.9552032451 | 0.0713449695 | 0.0711689011 | 0.0702483629 | 0.0675375242 | 0.0649752796 | 0.0638165837 | 0.0635708685 | 0.0631719631 |
| 1.9577424700 | 0.0712542752 | 0.0710763611 | 0.0701503490 | 0.0674285695 | 0.0648576899 | 0.0636953972 | 0.0634489224 | 0.0630373718 |
| 1.9602816950 | 0.0711640776 | 0.0709843033 | 0.0700527810 | 0.0673200320 | 0.0647405139 | 0.0635746200 | 0.0633273833 | 0.0629032640 |
| 1.9628209200 | 0.0710743646 | 0.0708927159 | 0.0699556473 | 0.0672119011 | 0.0646237419 | 0.0634542429 | 0.0632062422 | 0.0627696298 |
| 1.9653601450 | 0.0709851243 | 0.0708015868 | 0.0698589362 | 0.0671041662 | 0.0645073641 | 0.0633342568 | 0.0630854900 | 0.0626364594 |
| 1.9678993700 | 0.0708963447 | 0.0707109041 | 0.0697626362 | 0.0669968165 | 0.0643913710 | 0.0632146526 | 0.0629651179 | 0.0625037430 |
| 1.9704385950 | 0.0708080138 | 0.0706206559 | 0.0696667356 | 0.0668898415 | 0.0642757529 | 0.0630954212 | 0.0628451168 | 0.0623714709 |
| 1.9729778200 | 0.0707201196 | 0.0705308304 | 0.0695712228 | 0.0667832304 | 0.0641605002 | 0.0629765534 | 0.0627254778 | 0.0622396334 |
| 1.9755170450 | 0.0706326503 | 0.0704414156 | 0.0694760863 | 0.0666769728 | 0.0640456032 | 0.0628580403 | 0.0626061920 | 0.0621082207 |
| 1.9780562700 | 0.0705455938 | 0.0703523997 | 0.0693813145 | 0.0665710580 | 0.0639310525 | 0.0627398728 | 0.0624872505 | 0.0619772234 |
| 1.9805954950 | 0.0704589382 | 0.0702637708 | 0.0692868959 | 0.0664654756 | 0.0638168385 | 0.0626220419 | 0.0623686444 | 0.0618466318 |
| 1.9831347200 | 0.0703726717 | 0.0701755170 | 0.0691928190 | 0.0663602149 | 0.0637029516 | 0.0625045387 | 0.0622503649 | 0.0617164363 |
| 1.9856739450 | 0.0702867823 | 0.0700876266 | 0.0690990722 | 0.0662552655 | 0.0635893824 | 0.0623873541 | 0.0621324031 | 0.0615866274 |
| 1.9882131700 | 0.0702012582 | 0.0700000877 | 0.0690056441 | 0.0661506170 | 0.0634761215 | 0.0622704793 | 0.0620147503 | 0.0614571957 |
| 1.9907523950 | 0.0701160874 | 0.0699128886 | 0.0689125233 | 0.0660462588 | 0.0633631593 | 0.0621539053 | 0.0618973978 | 0.0613281317 |
| 1.9932916200 | 0.0700312582 | 0.0698260173 | 0.0688196982 | 0.0659421805 | 0.0632504865 | 0.0620376234 | 0.0617803367 | 0.0611994261 |
| 1.9958308450 | 0.0699467586 | 0.0697394623 | 0.0687271575 | 0.0658383718 | 0.0631380938 | 0.0619216246 | 0.0616635584 | 0.0610710694 |
| 1.9983700699 | 0.0698625768 | 0.0696532116 | 0.0686348897 | 0.0657348223 | 0.0630259717 | 0.0618059002 | 0.0615470543 | 0.0609430523 |
| 2.0009092949 | 0.0697787011 | 0.0695672537 | 0.0685428836 | 0.0656315216 | 0.0629141109 | 0.0616904414 | 0.0614308156 | 0.0608153656 |
| 2.0034485199 | 0.0696951196 | 0.0694815767 | 0.0684511276 | 0.0655284594 | 0.0628025022 | 0.0615752394 | 0.0613148338 | 0.0606880000 |
| 2.0059877449 | 0.0696118206 | 0.0693961689 | 0.0683596106 | 0.0654256254 | 0.0626911363 | 0.0614602855 | 0.0611991002 | 0.0605609463 |
| 2.0085269699 | 0.0695287923 | 0.0693110188 | 0.0682683211 | 0.0653230094 | 0.0625800040 | 0.0613455710 | 0.0610836063 | 0.0604341954 |
| 2.0110661949 | 0.0694460229 | 0.0692261146 | 0.0681772479 | 0.0652206012 | 0.0624690961 | 0.0612310873 | 0.0609683436 | 0.0603077381 |
| 2.0136054199 | 0.0693635007 | 0.0691414447 | 0.0680863798 | 0.0651183905 | 0.0623584034 | 0.0611168257 | 0.0608533036 | 0.0601815654 |
| 2.0161446449 | 0.0692812140 | 0.0690569975 | 0.0679957055 | 0.0650163671 | 0.0622479167 | 0.0610027776 | 0.0607384778 | 0.0600556682 |
| 2.0186838699 | 0.0691991512 | 0.0689727613 | 0.0679052137 | 0.0649145210 | 0.0621376271 | 0.0608889346 | 0.0606238578 | 0.0599300376 |
| 2.0212230949 | 0.0691173006 | 0.0688887247 | 0.0678148933 | 0.0648128421 | 0.0620275253 | 0.0607752879 | 0.0605094352 | 0.0598046646 |
| 2.0237623199 | 0.0690356505 | 0.0688048760 | 0.0677247332 | 0.0647113201 | 0.0619176025 | 0.0606618292 | 0.0603952016 | 0.0596795403 |
| 2.0263015449 | 0.0689541892 | 0.0687212037 | 0.0676347222 | 0.0646099452 | 0.0618078495 | 0.0605485500 | 0.0602811487 | 0.0595546559 |
| 2.0288407699 | 0.0688729053 | 0.0686376964 | 0.0675448492 | 0.0645087074 | 0.0616982575 | 0.0604354418 | 0.0601672682 | 0.0594300025 |
| 2.0313799949 | 0.0687917871 | 0.0685543425 | 0.0674551032 | 0.0644075965 | 0.0615888174 | 0.0603224963 | 0.0600535518 | 0.0593055714 |
| 2.0339192199 | 0.0687108231 | 0.0684711306 | 0.0673654730 | 0.0643066028 | 0.0614795205 | 0.0602097051 | 0.0599399914 | 0.0591813539 |
| 2.0364584448 | 0.0686300018 | 0.0683880493 | 0.0672759478 | 0.0642057162 | 0.0613703579 | 0.0600970598 | 0.0598265786 | 0.0590573412 |
| 2.0389976698 | 0.0685493116 | 0.0683050872 | 0.0671865165 | 0.0641049271 | 0.0612613207 | 0.0599845523 | 0.0597133055 | 0.0589335249 |
| 2.0415368948 | 0.0684687411 | 0.0682222329 | 0.0670971681 | 0.0640042254 | 0.0611524001 | 0.0598721742 | 0.0596001638 | 0.0588098962 |
| 2.0440761198 | 0.0683882788 | 0.0681394750 | 0.0670078918 | 0.0639036015 | 0.0610435875 | 0.0597599174 | 0.0594871454 | 0.0586864467 |
| 2.0466153448 | 0.0683079133 | 0.0680568023 | 0.0669186767 | 0.0638030455 | 0.0609348742 | 0.0596477736 | 0.0593742424 | 0.0585631679 |
| 2.0491545698 | 0.0682276333 | 0.0679742035 | 0.0668295119 | 0.0637025479 | 0.0608262514 | 0.0595357348 | 0.0592614467 | 0.0584400514 |
| 2.0516937948 | 0.0681474273 | 0.0678916674 | 0.0667403867 | 0.0636020988 | 0.0607177106 | 0.0594237928 | 0.0591487504 | 0.0583170888 |
| 2.0542330198 | 0.0680672841 | 0.0678091826 | 0.0666512902 | 0.0635016888 | 0.0606092431 | 0.0593119397 | 0.0590361455 | 0.0581942717 |
| 2.0567722448 | 0.0679871923 | 0.0677267381 | 0.0665622118 | 0.0634013082 | 0.0605008405 | 0.0592001673 | 0.0589236241 | 0.0580715919 |
| 2.0593114698 | 0.0679071407 | 0.0676443226 | 0.0664731407 | 0.0633009474 | 0.0603924943 | 0.0590884678 | 0.0588111785 | 0.0579490412 |
| 2.0618506948 | 0.0678271180 | 0.0675619252 | 0.0663840664 | 0.0632005970 | 0.0602841960 | 0.0589768332 | 0.0586988008 | 0.0578266113 |
| 2.0643899198 | 0.0677471130 | 0.0674795346 | 0.0662949781 | 0.0631002475 | 0.0601759373 | 0.0588652556 | 0.0585864833 | 0.0577042942 |
| 2.0669291448 | 0.0676671147 | 0.0673971399 | 0.0662058653 | 0.0629998895 | 0.0600677097 | 0.0587537272 | 0.0584742182 | 0.0575820818 |
| 2.0694683698 | 0.0675871117 | 0.0673147300 | 0.0661167176 | 0.0628995137 | 0.0599595049 | 0.0586422401 | 0.0583619980 | 0.0574599661 |
| 2.0720075948 | 0.0675070932 | 0.0672322941 | 0.0660275243 | 0.0627991107 | 0.0598513147 | 0.0585307867 | 0.0582498148 | 0.0573379392 |
| 2.0745468198 | 0.0674270479 | 0.0671498211 | 0.0659382751 | 0.0626986713 | 0.0597431309 | 0.0584193593 | 0.0581376613 | 0.0572159931 |
| 2.0770860447 | 0.0673469650 | 0.0670673002 | 0.0658489596 | 0.0625981863 | 0.0596349453 | 0.0583079502 | 0.0580255298 | 0.0570941199 |
| 2.0796252697 | 0.0672668333 | 0.0669847205 | 0.0657595674 | 0.0624976465 | 0.0595267498 | 0.0581965517 | 0.0579134129 | 0.0569723120 |
| 2.0821644947 | 0.0671866421 | 0.0669020713 | 0.0656700883 | 0.0623970428 | 0.0594185363 | 0.0580851563 | 0.0578013031 | 0.0568505615 |
| 2.0847037197 | 0.0671063803 | 0.0668193418 | 0.0655805120 | 0.0622963660 | 0.0593102968 | 0.0579737566 | 0.0576891930 | 0.0567288608 |
| 2.0872429447 | 0.0670260372 | 0.0667365212 | 0.0654908282 | 0.0621956073 | 0.0592020233 | 0.0578623449 | 0.0575770754 | 0.0566072023 |
| 2.0897821697 | 0.0669456019 | 0.0666535990 | 0.0654010268 | 0.0620947577 | 0.0590937080 | 0.0577509140 | 0.0574649428 | 0.0564855784 |
| 2.0923213947 | 0.0668650637 | 0.0665705645 | 0.0653110978 | 0.0619938082 | 0.0589853428 | 0.0576394565 | 0.0573527881 | 0.0563639816 |
| 2.0948606197 | 0.0667844119 | 0.0664874071 | 0.0652210311 | 0.0618927500 | 0.0588769201 | 0.0575279650 | 0.0572406040 | 0.0562424046 |
| 2.0973998447 | 0.0667036358 | 0.0664041164 | 0.0651308166 | 0.0617915743 | 0.0587684320 | 0.0574164323 | 0.0571283835 | 0.0561208398 |
| 2.0999390697 | 0.0666227247 | 0.0663206817 | 0.0650404446 | 0.0616902724 | 0.0586598709 | 0.0573048511 | 0.0570161194 | 0.0559992801 |
| 2.1024782947 | 0.0665416682 | 0.0662370929 | 0.0649499049 | 0.0615888356 | 0.0585512292 | 0.0571932144 | 0.0569038047 | 0.0558777181 |
| 2.1050175197 | 0.0664604557 | 0.0661533393 | 0.0648591880 | 0.0614872553 | 0.0584424991 | 0.0570815151 | 0.0567914324 | 0.0557561466 |
| 2.1075567447 | 0.0663790766 | 0.0660694109 | 0.0647682839 | 0.0613855230 | 0.0583336732 | 0.0569697459 | 0.0566789956 | 0.0556345586 |
| 2.1100959697 | 0.0662975207 | 0.0659852972 | 0.0646771829 | 0.0612836300 | 0.0582247441 | 0.0568579001 | 0.0565664873 | 0.0555129470 |
| 2.1126351947 | 0.0662157776 | 0.0659009881 | 0.0645858755 | 0.0611815681 | 0.0581157042 | 0.0567459707 | 0.0564539009 | 0.0553913048 |
| 2.1151744197 | 0.0661338369 | 0.0658164734 | 0.0644943520 | 0.0610793288 | 0.0580065463 | 0.0566339507 | 0.0563412295 | 0.0552696250 |
| 2.1177136446 | 0.0660516884 | 0.0657317431 | 0.0644026029 | 0.0609769038 | 0.0578972630 | 0.0565218333 | 0.0562284664 | 0.0551479009 |
| 2.1202528696 | 0.0659693218 | 0.0656467872 | 0.0643106188 | 0.0608742848 | 0.0577878471 | 0.0564096119 | 0.0561156050 | 0.0550261255 |
| 2.1227920946 | 0.0658867272 | 0.0655615956 | 0.0642183902 | 0.0607714638 | 0.0576782915 | 0.0562972796 | 0.0560026387 | 0.0549042922 |
| 2.1253313196 | 0.0658038943 | 0.0654761584 | 0.0641259078 | 0.0606684326 | 0.0575685889 | 0.0561848299 | 0.0558895609 | 0.0547823943 |
| 2.1278705446 | 0.0657208132 | 0.0653904659 | 0.0640331624 | 0.0605651831 | 0.0574587325 | 0.0560722562 | 0.0557763652 | 0.0546604253 |
| 2.1304097696 | 0.0656374739 | 0.0653045082 | 0.0639401448 | 0.0604617074 | 0.0573487151 | 0.0559595519 | 0.0556630452 | 0.0545383785 |
| 2.1329489946 | 0.0655538665 | 0.0652182756 | 0.0638468457 | 0.0603579975 | 0.0572385298 | 0.0558467106 | 0.0555495945 | 0.0544162476 |
| 2.1354882196 | 0.0654699813 | 0.0651317585 | 0.0637532563 | 0.0602540457 | 0.0571281699 | 0.0557337259 | 0.0554360068 | 0.0542940262 |
| 2.1380274446 | 0.0653858084 | 0.0650449473 | 0.0636593674 | 0.0601498441 | 0.0570176285 | 0.0556205915 | 0.0553222760 | 0.0541717080 |
| 2.1405666696 | 0.0653013381 | 0.0649578324 | 0.0635651702 | 0.0600453851 | 0.0569068989 | 0.0555073010 | 0.0552083958 | 0.0540492866 |
| 2.1431058946 | 0.0652165608 | 0.0648704044 | 0.0634706558 | 0.0599406610 | 0.0567959744 | 0.0553938483 | 0.0550943601 | 0.0539267561 |
| 2.1456451196 | 0.0651314670 | 0.0647826541 | 0.0633758156 | 0.0598356644 | 0.0566848486 | 0.0552802273 | 0.0549801629 | 0.0538041102 |
| 2.1481843446 | 0.0650460472 | 0.0646945719 | 0.0632806407 | 0.0597303877 | 0.0565735147 | 0.0551664319 | 0.0548657983 | 0.0536813430 |
| 2.1507235696 | 0.0649602919 | 0.0646061488 | 0.0631851225 | 0.0596248236 | 0.0564619665 | 0.0550524561 | 0.0547512604 | 0.0535584485 |
| 2.1532627946 | 0.0648741918 | 0.0645173756 | 0.0630892527 | 0.0595189647 | 0.0563501976 | 0.0549382939 | 0.0546365433 | 0.0534354208 |
| 2.1558020195 | 0.0647877377 | 0.0644282432 | 0.0629930226 | 0.0594128038 | 0.0562382015 | 0.0548239395 | 0.0545216412 | 0.0533122543 |
| 2.1583412445 | 0.0647009203 | 0.0643387426 | 0.0628964239 | 0.0593063338 | 0.0561259723 | 0.0547093871 | 0.0544065485 | 0.0531889430 |
| 2.1608804695 | 0.0646137306 | 0.0642488648 | 0.0627994484 | 0.0591995475 | 0.0560135036 | 0.0545946309 | 0.0542912595 | 0.0530654815 |
| 2.1634196945 | 0.0645261594 | 0.0641586011 | 0.0627020877 | 0.0590924380 | 0.0559007894 | 0.0544796653 | 0.0541757687 | 0.0529418642 |
| 2.1659589195 | 0.0644381978 | 0.0640679427 | 0.0626043339 | 0.0589849984 | 0.0557878237 | 0.0543644848 | 0.0540600706 | 0.0528180856 |
| 2.1684981445 | 0.0643498370 | 0.0639768809 | 0.0625061789 | 0.0588772218 | 0.0556746005 | 0.0542490837 | 0.0539441598 | 0.0526941402 |
| 2.1710373695 | 0.0642610682 | 0.0638854071 | 0.0624076147 | 0.0587691016 | 0.0555611142 | 0.0541334567 | 0.0538280308 | 0.0525700228 |
| 2.1735765945 | 0.0641718826 | 0.0637935127 | 0.0623086334 | 0.0586606309 | 0.0554473587 | 0.0540175984 | 0.0537116786 | 0.0524457282 |
| 2.1761158195 | 0.0640822715 | 0.0637011895 | 0.0622092273 | 0.0585518033 | 0.0553333286 | 0.0539015035 | 0.0535950978 | 0.0523212511 |
| 2.1786550445 | 0.0639922265 | 0.0636084289 | 0.0621093887 | 0.0584426123 | 0.0552190181 | 0.0537851668 | 0.0534782833 | 0.0521965865 |
| 2.1811942695 | 0.0639017391 | 0.0635152229 | 0.0620091100 | 0.0583330514 | 0.0551044218 | 0.0536685832 | 0.0533612301 | 0.0520717294 |
| 2.1837334945 | 0.0638108009 | 0.0634215631 | 0.0619083837 | 0.0582231144 | 0.0549895342 | 0.0535517475 | 0.0532439332 | 0.0519466749 |
| 2.1862727195 | 0.0637194035 | 0.0633274416 | 0.0618072024 | 0.0581127951 | 0.0548743499 | 0.0534346548 | 0.0531263877 | 0.0518214182 |
| 2.1888119445 | 0.0636275389 | 0.0632328504 | 0.0617055588 | 0.0580020873 | 0.0547588636 | 0.0533173002 | 0.0530085888 | 0.0516959545 |
| 2.1913511695 | 0.0635351990 | 0.0631377816 | 0.0616034457 | 0.0578909849 | 0.0546430701 | 0.0531996789 | 0.0528905318 | 0.0515702792 |
| 2.1938903945 | 0.0634423756 | 0.0630422273 | 0.0615008559 | 0.0577794821 | 0.0545269644 | 0.0530817861 | 0.0527722119 | 0.0514443876 |
| 2.1964296194 | 0.0633490609 | 0.0629461799 | 0.0613977825 | 0.0576675730 | 0.0544105414 | 0.0529636171 | 0.0526536246 | 0.0513182754 |
| 2.1989688444 | 0.0632552470 | 0.0628496318 | 0.0612942185 | 0.0575552518 | 0.0542937961 | 0.0528451673 | 0.0525347655 | 0.0511919381 |
| 2.2015080694 | 0.0631609263 | 0.0627525755 | 0.0611901570 | 0.0574425128 | 0.0541767237 | 0.0527264323 | 0.0524156299 | 0.0510653714 |
| 2.2040472944 | 0.0630660910 | 0.0626550036 | 0.0610855915 | 0.0573293506 | 0.0540593195 | 0.0526074076 | 0.0522962137 | 0.0509385710 |
| 2.2065865194 | 0.0629707337 | 0.0625569087 | 0.0609805152 | 0.0572157595 | 0.0539415786 | 0.0524880888 | 0.0521765125 | 0.0508115329 |
| 2.2091257444 | 0.0628748470 | 0.0624582838 | 0.0608749216 | 0.0571017344 | 0.0538234966 | 0.0523684718 | 0.0520565222 | 0.0506842529 |
| 2.2116649694 | 0.0627784234 | 0.0623591216 | 0.0607688044 | 0.0569872698 | 0.0537050688 | 0.0522485522 | 0.0519362387 | 0.0505567271 |
| 2.2142041944 | 0.0626814558 | 0.0622594151 | 0.0606621572 | 0.0568723607 | 0.0535862910 | 0.0521283261 | 0.0518156579 | 0.0504289517 |
| 2.2167434194 | 0.0625839370 | 0.0621591576 | 0.0605549738 | 0.0567570019 | 0.0534671588 | 0.0520077894 | 0.0516947758 | 0.0503009228 |
| 2.2192826444 | 0.0624858600 | 0.0620583422 | 0.0604472481 | 0.0566411885 | 0.0533476679 | 0.0518869382 | 0.0515735888 | 0.0501726368 |
| 2.2218218694 | 0.0623872179 | 0.0619569621 | 0.0603389743 | 0.0565249155 | 0.0532278141 | 0.0517657687 | 0.0514520929 | 0.0500440901 |
| 2.2243610944 | 0.0622880039 | 0.0618550110 | 0.0602301463 | 0.0564081784 | 0.0531075935 | 0.0516442770 | 0.0513302845 | 0.0499152791 |
| 2.2269003194 | 0.0621882112 | 0.0617524822 | 0.0601207584 | 0.0562909723 | 0.0529870021 | 0.0515224596 | 0.0512081601 | 0.0497862005 |
| 2.2294395444 | 0.0620878334 | 0.0616493694 | 0.0600108050 | 0.0561732927 | 0.0528660359 | 0.0514003128 | 0.0510857160 | 0.0496568508 |
| 2.2319787694 | 0.0619868638 | 0.0615456665 | 0.0599002806 | 0.0560551352 | 0.0527446913 | 0.0512778332 | 0.0509629489 | 0.0495272269 |
| 2.2345179943 | 0.0618852961 | 0.0614413672 | 0.0597891797 | 0.0559364955 | 0.0526229646 | 0.0511550173 | 0.0508398555 | 0.0493973257 |
| 2.2370572193 | 0.0617831241 | 0.0613364656 | 0.0596774969 | 0.0558173692 | 0.0525008521 | 0.0510318619 | 0.0507164324 | 0.0492671440 |
| 2.2395964443 | 0.0616803417 | 0.0612309557 | 0.0595652273 | 0.0556977523 | 0.0523783504 | 0.0509083638 | 0.0505926766 | 0.0491366790 |
| 2.2421356693 | 0.0615769426 | 0.0611248318 | 0.0594523655 | 0.0555776407 | 0.0522554561 | 0.0507845197 | 0.0504685850 | 0.0490059277 |
| 2.2446748943 | 0.0614729212 | 0.0610180881 | 0.0593389068 | 0.0554570306 | 0.0521321658 | 0.0506603268 | 0.0503441545 | 0.0488748874 |
| 2.2472141193 | 0.0613682715 | 0.0609107193 | 0.0592248462 | 0.0553359180 | 0.0520084765 | 0.0505357819 | 0.0502193824 | 0.0487435555 |
| 2.2497533443 | 0.0612629878 | 0.0608027197 | 0.0591101790 | 0.0552142994 | 0.0518843849 | 0.0504108823 | 0.0500942657 | 0.0486119293 |
| 2.2522925693 | 0.0611570647 | 0.0606940841 | 0.0589949007 | 0.0550921712 | 0.0517598882 | 0.0502856252 | 0.0499688018 | 0.0484800063 |
| 2.2548317943 | 0.0610504966 | 0.0605848074 | 0.0588790067 | 0.0549695297 | 0.0516349833 | 0.0501600079 | 0.0498429881 | 0.0483477843 |
| 2.2573710193 | 0.0609432782 | 0.0604748844 | 0.0587624927 | 0.0548463718 | 0.0515096675 | 0.0500340278 | 0.0497168221 | 0.0482152608 |
| 2.2599102443 | 0.0608354043 | 0.0603643101 | 0.0586453545 | 0.0547226942 | 0.0513839381 | 0.0499076825 | 0.0495903012 | 0.0480824338 |
| 2.2624494693 | 0.0607268699 | 0.0602530799 | 0.0585275879 | 0.0545984937 | 0.0512577925 | 0.0497809696 | 0.0494634232 | 0.0479493010 |
| 2.2649886943 | 0.0606176700 | 0.0601411889 | 0.0584091890 | 0.0544737673 | 0.0511312282 | 0.0496538868 | 0.0493361859 | 0.0478158606 |
| 2.2675279193 | 0.0605077996 | 0.0600286326 | 0.0582901538 | 0.0543485121 | 0.0510042428 | 0.0495264318 | 0.0492085870 | 0.0476821106 |
| 2.2700671443 | 0.0603972543 | 0.0599154065 | 0.0581704788 | 0.0542227253 | 0.0508768339 | 0.0493986025 | 0.0490806245 | 0.0475480491 |
| 2.2726063693 | 0.0602860292 | 0.0598015063 | 0.0580501602 | 0.0540964042 | 0.0507489995 | 0.0492703970 | 0.0489522964 | 0.0474136746 |
| 2.2751455942 | 0.0601741201 | 0.0596869279 | 0.0579291945 | 0.0539695463 | 0.0506207373 | 0.0491418134 | 0.0488236009 | 0.0472789853 |
| 2.2776848192 | 0.0600615225 | 0.0595716671 | 0.0578075785 | 0.0538421492 | 0.0504920454 | 0.0490128497 | 0.0486945361 | 0.0471439798 |
| 2.2802240442 | 0.0599482322 | 0.0594557200 | 0.0576853088 | 0.0537142104 | 0.0503629219 | 0.0488835043 | 0.0485651004 | 0.0470086566 |
| 2.2827632692 | 0.0598342453 | 0.0593390829 | 0.0575623825 | 0.0535857278 | 0.0502333651 | 0.0487537756 | 0.0484352923 | 0.0468730144 |
| 2.2853024942 | 0.0597195577 | 0.0592217519 | 0.0574387964 | 0.0534566994 | 0.0501033732 | 0.0486236620 | 0.0483051101 | 0.0467370521 |
| 2.2878417192 | 0.0596041655 | 0.0591037237 | 0.0573145478 | 0.0533271231 | 0.0499729447 | 0.0484931621 | 0.0481745525 | 0.0466007685 |
| 2.2903809442 | 0.0594880653 | 0.0589849947 | 0.0571896341 | 0.0531969970 | 0.0498420781 | 0.0483622745 | 0.0480436182 | 0.0464641625 |
| 2.2929201692 | 0.0593712533 | 0.0588655617 | 0.0570640525 | 0.0530663196 | 0.0497107720 | 0.0482309981 | 0.0479123060 | 0.0463272332 |
| 2.2954593942 | 0.0592537263 | 0.0587454215 | 0.0569378006 | 0.0529350890 | 0.0495790251 | 0.0480993315 | 0.0477806148 | 0.0461899799 |
| 2.2979986192 | 0.0591354808 | 0.0586245712 | 0.0568108762 | 0.0528033039 | 0.0494468364 | 0.0479672740 | 0.0476485435 | 0.0460524018 |
| 2.3005378442 | 0.0590165137 | 0.0585030078 | 0.0566832771 | 0.0526709628 | 0.0493142047 | 0.0478348244 | 0.0475160912 | 0.0459144982 |
| 2.3030770692 | 0.0588968222 | 0.0583807286 | 0.0565550011 | 0.0525380645 | 0.0491811290 | 0.0477019819 | 0.0473832572 | 0.0457762686 |
| 2.3056162942 | 0.0587764031 | 0.0582577309 | 0.0564260465 | 0.0524046079 | 0.0490476087 | 0.0475687457 | 0.0472500406 | 0.0456377127 |
| 2.3081555192 | 0.0586552539 | 0.0581340124 | 0.0562964114 | 0.0522705919 | 0.0489136429 | 0.0474351154 | 0.0471164409 | 0.0454988300 |
| 2.3106947442 | 0.0585333720 | 0.0580095707 | 0.0561660942 | 0.0521360157 | 0.0487792309 | 0.0473010901 | 0.0469824575 | 0.0453596203 |
| 2.3132339691 | 0.0584107548 | 0.0578844036 | 0.0560350934 | 0.0520008785 | 0.0486443723 | 0.0471666696 | 0.0468480899 | 0.0452200835 |
| 2.3157731941 | 0.0582874000 | 0.0577585090 | 0.0559034075 | 0.0518651796 | 0.0485090666 | 0.0470318534 | 0.0467133380 | 0.0450802196 |
| 2.3183124191 | 0.0581633054 | 0.0576318850 | 0.0557710355 | 0.0517289185 | 0.0483733136 | 0.0468966414 | 0.0465782013 | 0.0449400286 |
| 2.3208516441 | 0.0580384690 | 0.0575045298 | 0.0556379761 | 0.0515920947 | 0.0482371129 | 0.0467610333 | 0.0464426797 | 0.0447995106 |
| 2.3233908691 | 0.0579128889 | 0.0573764418 | 0.0555042284 | 0.0514547081 | 0.0481004646 | 0.0466250290 | 0.0463067733 | 0.0446586660 |
| 2.3259300941 | 0.0577865633 | 0.0572476195 | 0.0553697915 | 0.0513167584 | 0.0479633685 | 0.0464886287 | 0.0461704820 | 0.0445174950 |
| 2.3284693191 | 0.0576594905 | 0.0571180614 | 0.0552346649 | 0.0511782456 | 0.0478258249 | 0.0463518324 | 0.0460338060 | 0.0443759982 |
| 2.3310085441 | 0.0575316692 | 0.0569877665 | 0.0550988478 | 0.0510391697 | 0.0476878340 | 0.0462146404 | 0.0458967455 | 0.0442341760 |
| 2.3335477691 | 0.0574030978 | 0.0568567335 | 0.0549623400 | 0.0508995310 | 0.0475493959 | 0.0460770531 | 0.0457593009 | 0.0440920292 |
| 2.3360869941 | 0.0572737753 | 0.0567249616 | 0.0548251411 | 0.0507593298 | 0.0474105113 | 0.0459390708 | 0.0456214726 | 0.0439495584 |
| 2.3386262191 | 0.0571437005 | 0.0565924499 | 0.0546872510 | 0.0506185665 | 0.0472711806 | 0.0458006940 | 0.0454832612 | 0.0438067646 |
| 2.3411654441 | 0.0570128725 | 0.0564591979 | 0.0545486696 | 0.0504772417 | 0.0471314044 | 0.0456619235 | 0.0453446672 | 0.0436636485 |
| 2.3437046691 | 0.0568812905 | 0.0563252049 | 0.0544093971 | 0.0503353560 | 0.0469911835 | 0.0455227600 | 0.0452056915 | 0.0435202114 |
| 2.3462438941 | 0.0567489539 | 0.0561904705 | 0.0542694338 | 0.0501929103 | 0.0468505187 | 0.0453832042 | 0.0450663347 | 0.0433764542 |
| 2.3487831191 | 0.0566158622 | 0.0560549946 | 0.0541287801 | 0.0500499055 | 0.0467094111 | 0.0452432571 | 0.0449265979 | 0.0432323782 |
| 2.3513223441 | 0.0564820150 | 0.0559187771 | 0.0539874365 | 0.0499063427 | 0.0465678616 | 0.0451029197 | 0.0447864821 | 0.0430879848 |
| 2.3538615690 | 0.0563474121 | 0.0557818180 | 0.0538454037 | 0.0497622229 | 0.0464258714 | 0.0449621931 | 0.0446459883 | 0.0429432753 |
| 2.3564007940 | 0.0562120534 | 0.0556441174 | 0.0537026825 | 0.0496175476 | 0.0462834418 | 0.0448210786 | 0.0445051178 | 0.0427982513 |
| 2.3589400190 | 0.0560759390 | 0.0555056758 | 0.0535592738 | 0.0494723181 | 0.0461405742 | 0.0446795775 | 0.0443638718 | 0.0426529143 |
| 2.3614792440 | 0.0559390691 | 0.0553664935 | 0.0534151788 | 0.0493265359 | 0.0459972700 | 0.0445376911 | 0.0442222518 | 0.0425072660 |
| 2.3640184690 | 0.0558014440 | 0.0552265712 | 0.0532703987 | 0.0491802027 | 0.0458535308 | 0.0443954210 | 0.0440802593 | 0.0423613083 |
| 2.3665576940 | 0.0556630643 | 0.0550859096 | 0.0531249348 | 0.0490333203 | 0.0457093583 | 0.0442527687 | 0.0439378958 | 0.0422150430 |
| 2.3690969190 | 0.0555239306 | 0.0549445097 | 0.0529787886 | 0.0488858905 | 0.0455647543 | 0.0441097360 | 0.0437951630 | 0.0420684721 |
| 2.3716361440 | 0.0553840436 | 0.0548023725 | 0.0528319618 | 0.0487379153 | 0.0454197207 | 0.0439663247 | 0.0436520628 | 0.0419215977 |
| 2.3741753690 | 0.0552434043 | 0.0546594991 | 0.0526844561 | 0.0485893969 | 0.0452742594 | 0.0438225366 | 0.0435085968 | 0.0417744218 |
| 2.3767145940 | 0.0551020138 | 0.0545158909 | 0.0525362735 | 0.0484403376 | 0.0451283726 | 0.0436783738 | 0.0433647672 | 0.0416269468 |
| 2.3792538190 | 0.0549598732 | 0.0543715493 | 0.0523874160 | 0.0482907396 | 0.0449820625 | 0.0435338382 | 0.0432205760 | 0.0414791750 |
| 2.3817930440 | 0.0548169839 | 0.0542264759 | 0.0522378857 | 0.0481406054 | 0.0448353313 | 0.0433889321 | 0.0430760252 | 0.0413311087 |
| 2.3843322690 | 0.0546733473 | 0.0540806725 | 0.0520876849 | 0.0479899377 | 0.0446881814 | 0.0432436578 | 0.0429311172 | 0.0411827507 |
| 2.3868714940 | 0.0545289652 | 0.0539341409 | 0.0519368162 | 0.0478387392 | 0.0445406154 | 0.0430980175 | 0.0427858543 | 0.0410341033 |
| 2.3894107190 | 0.0543838393 | 0.0537868832 | 0.0517852821 | 0.0476870126 | 0.0443926357 | 0.0429520138 | 0.0426402388 | 0.0408851693 |
| 2.3919499440 | 0.0542379715 | 0.0536389014 | 0.0516330852 | 0.0475347609 | 0.0442442453 | 0.0428056491 | 0.0424942734 | 0.0407359516 |
| 2.3944891689 | 0.0540913638 | 0.0534901980 | 0.0514802285 | 0.0473819872 | 0.0440954467 | 0.0426589262 | 0.0423479605 | 0.0405864529 |
| 2.3970283939 | 0.0539440184 | 0.0533407754 | 0.0513267148 | 0.0472286946 | 0.0439462429 | 0.0425118476 | 0.0422013029 | 0.0404366762 |
| 2.3995676189 | 0.0537959378 | 0.0531906360 | 0.0511725474 | 0.0470748864 | 0.0437966369 | 0.0423644163 | 0.0420543033 | 0.0402866245 |
| 2.4021068439 | 0.0536471242 | 0.0530397826 | 0.0510177293 | 0.0469205661 | 0.0436466318 | 0.0422166352 | 0.0419069647 | 0.0401363011 |
| 2.4046460689 | 0.0534975804 | 0.0528882182 | 0.0508622641 | 0.0467657370 | 0.0434962308 | 0.0420685072 | 0.0417592899 | 0.0399857089 |
| 2.4071852939 | 0.0533473091 | 0.0527359455 | 0.0507061552 | 0.0466104029 | 0.0433454370 | 0.0419200353 | 0.0416112820 | 0.0398348514 |
| 2.4097245189 | 0.0531963131 | 0.0525829679 | 0.0505494061 | 0.0464545674 | 0.0431942540 | 0.0417712229 | 0.0414629441 | 0.0396837320 |
| 2.4122637439 | 0.0530445956 | 0.0524292884 | 0.0503920207 | 0.0462982343 | 0.0430426851 | 0.0416220730 | 0.0413142795 | 0.0395323540 |
| 2.4148029689 | 0.0528921596 | 0.0522749105 | 0.0502340028 | 0.0461414077 | 0.0428907340 | 0.0414725891 | 0.0411652914 | 0.0393807210 |
| 2.4173421939 | 0.0527390084 | 0.0521198378 | 0.0500753565 | 0.0459840916 | 0.0427384042 | 0.0413227747 | 0.0410159831 | 0.0392288366 |
| 2.4198814189 | 0.0525851455 | 0.0519640738 | 0.0499160858 | 0.0458262900 | 0.0425856995 | 0.0411726331 | 0.0408663583 | 0.0390767045 |
| 2.4224206439 | 0.0524305744 | 0.0518076224 | 0.0497561949 | 0.0456680074 | 0.0424326237 | 0.0410221680 | 0.0407164203 | 0.0389243284 |
| 2.4249598689 | 0.0522752988 | 0.0516504875 | 0.0495956884 | 0.0455092480 | 0.0422791808 | 0.0408713830 | 0.0405661729 | 0.0387717122 |
| 2.4274990939 | 0.0521193226 | 0.0514926730 | 0.0494345706 | 0.0453500163 | 0.0421253748 | 0.0407202820 | 0.0404156197 | 0.0386188599 |
| 2.4300383189 | 0.0519626497 | 0.0513341833 | 0.0492728461 | 0.0451903170 | 0.0419712097 | 0.0405688688 | 0.0402647645 | 0.0384657754 |
| 2.4325775438 | 0.0518052842 | 0.0511750225 | 0.0491105198 | 0.0450301546 | 0.0418166897 | 0.0404171472 | 0.0401136112 | 0.0383124627 |
| 2.4351167688 | 0.0516472303 | 0.0510151952 | 0.0489475965 | 0.0448695339 | 0.0416618192 | 0.0402651214 | 0.0399621637 | 0.0381589261 |
| 2.4376559938 | 0.0514884923 | 0.0508547059 | 0.0487840811 | 0.0447084599 | 0.0415066024 | 0.0401127953 | 0.0398104261 | 0.0380051697 |
| 2.4401952188 | 0.0513290749 | 0.0506935592 | 0.0486199787 | 0.0445469375 | 0.0413510439 | 0.0399601731 | 0.0396584025 | 0.0378511979 |
| 2.4427344438 | 0.0511689824 | 0.0505317601 | 0.0484552946 | 0.0443849718 | 0.0411951481 | 0.0398072592 | 0.0395060970 | 0.0376970149 |
| 2.4452736688 | 0.0510082198 | 0.0503693133 | 0.0482900341 | 0.0442225680 | 0.0410389197 | 0.0396540577 | 0.0393535139 | 0.0375426253 |
| 2.4478128938 | 0.0508467918 | 0.0502062240 | 0.0481242026 | 0.0440597313 | 0.0408823633 | 0.0395005732 | 0.0392006576 | 0.0373880335 |
| 2.4503521188 | 0.0506847034 | 0.0500424974 | 0.0479578057 | 0.0438964671 | 0.0407254838 | 0.0393468100 | 0.0390475323 | 0.0372332440 |
| 2.4528913438 | 0.0505219597 | 0.0498781388 | 0.0477908489 | 0.0437327808 | 0.0405682859 | 0.0391927727 | 0.0388941427 | 0.0370782616 |
| 2.4554305688 | 0.0503585661 | 0.0497131535 | 0.0476233382 | 0.0435686781 | 0.0404107746 | 0.0390384659 | 0.0387404932 | 0.0369230908 |
| 2.4579697938 | 0.0501945277 | 0.0495475472 | 0.0474552794 | 0.0434041645 | 0.0402529550 | 0.0388838943 | 0.0385865885 | 0.0367677365 |
| 2.4605090188 | 0.0500298502 | 0.0493813254 | 0.0472866785 | 0.0432392458 | 0.0400948320 | 0.0387290626 | 0.0384324332 | 0.0366122035 |
| 2.4630482438 | 0.0498645390 | 0.0492144941 | 0.0471175416 | 0.0430739278 | 0.0399364109 | 0.0385739758 | 0.0382780321 | 0.0364564967 |
| 2.4655874688 | 0.0496985999 | 0.0490470589 | 0.0469478749 | 0.0429082164 | 0.0397776969 | 0.0384186386 | 0.0381233901 | 0.0363006210 |
| 2.4681266938 | 0.0495320387 | 0.0488790260 | 0.0467776847 | 0.0427421176 | 0.0396186953 | 0.0382630561 | 0.0379685120 | 0.0361445815 |
| 2.4706659188 | 0.0493648615 | 0.0487104015 | 0.0466069774 | 0.0425756375 | 0.0394594116 | 0.0381072333 | 0.0378134028 | 0.0359883831 |
| 2.4732051437 | 0.0491970741 | 0.0485411916 | 0.0464357596 | 0.0424087823 | 0.0392998510 | 0.0379511753 | 0.0376580675 | 0.0358320311 |
| 2.4757443687 | 0.0490286828 | 0.0483714026 | 0.0462640378 | 0.0422415583 | 0.0391400193 | 0.0377948872 | 0.0375025112 | 0.0356755306 |
| 2.4782835937 | 0.0488596939 | 0.0482010410 | 0.0460918188 | 0.0420739716 | 0.0389799219 | 0.0376383743 | 0.0373467391 | 0.0355188868 |
| 2.4808228187 | 0.0486901138 | 0.0480301134 | 0.0459191095 | 0.0419060288 | 0.0388195646 | 0.0374816419 | 0.0371907563 | 0.0353621051 |
| 2.4833620437 | 0.0485199490 | 0.0478586263 | 0.0457459166 | 0.0417377364 | 0.0386589530 | 0.0373246953 | 0.0370345682 | 0.0352051908 |
| 2.4859012687 | 0.0483492060 | 0.0476865866 | 0.0455722472 | 0.0415691009 | 0.0384980930 | 0.0371675399 | 0.0368781800 | 0.0350481493 |
| 2.4884404937 | 0.0481778916 | 0.0475140012 | 0.0453981085 | 0.0414001290 | 0.0383369904 | 0.0370101813 | 0.0367215972 | 0.0348909860 |
| 2.4909797187 | 0.0480060127 | 0.0473408770 | 0.0452235076 | 0.0412308273 | 0.0381756511 | 0.0368526249 | 0.0365648252 | 0.0347337065 |
| 2.4935189437 | 0.0478335761 | 0.0471672210 | 0.0450484517 | 0.0410612027 | 0.0380140812 | 0.0366948763 | 0.0364078695 | 0.0345763162 |
| 2.4960581687 | 0.0476605890 | 0.0469930405 | 0.0448729484 | 0.0408912621 | 0.0378522867 | 0.0365369413 | 0.0362507357 | 0.0344188208 |
| 2.4985973937 | 0.0474870583 | 0.0468183427 | 0.0446970049 | 0.0407210123 | 0.0376902736 | 0.0363788254 | 0.0360934294 | 0.0342612260 |
| 2.5011366187 | 0.0473129914 | 0.0466431351 | 0.0445206290 | 0.0405504604 | 0.0375280481 | 0.0362205344 | 0.0359359562 | 0.0341035374 |
| 2.5036758437 | 0.0471383955 | 0.0464674249 | 0.0443438281 | 0.0403796135 | 0.0373656165 | 0.0360620742 | 0.0357783219 | 0.0339457607 |
| 2.5062150687 | 0.0469632782 | 0.0462912199 | 0.0441666100 | 0.0402084787 | 0.0372029851 | 0.0359034506 | 0.0356205323 | 0.0337879018 |
| 2.5087542937 | 0.0467876468 | 0.0461145276 | 0.0439889825 | 0.0400370631 | 0.0370401601 | 0.0357446695 | 0.0354625931 | 0.0336299664 |
| 2.5112935186 | 0.0466115091 | 0.0459373558 | 0.0438109536 | 0.0398653741 | 0.0368771479 | 0.0355857369 | 0.0353045102 | 0.0334719604 |
| 2.5138327436 | 0.0464348727 | 0.0457597122 | 0.0436325310 | 0.0396934190 | 0.0367139551 | 0.0354266587 | 0.0351462896 | 0.0333138896 |
| 2.5163719686 | 0.0462577455 | 0.0455816049 | 0.0434537228 | 0.0395212052 | 0.0365505879 | 0.0352674411 | 0.0349879372 | 0.0331557601 |
| 2.5189111936 | 0.0460801352 | 0.0454030418 | 0.0432745373 | 0.0393487400 | 0.0363870531 | 0.0351080901 | 0.0348294590 | 0.0329975778 |
| 2.5214504186 | 0.0459020500 | 0.0452240309 | 0.0430949824 | 0.0391760311 | 0.0362233572 | 0.0349486119 | 0.0346708610 | 0.0328393487 |
| 2.5239896436 | 0.0457234977 | 0.0450445805 | 0.0429150665 | 0.0390030860 | 0.0360595067 | 0.0347890126 | 0.0345121494 | 0.0326810788 |
| 2.5265288686 | 0.0455444867 | 0.0448646987 | 0.0427347979 | 0.0388299122 | 0.0358955084 | 0.0346292986 | 0.0343533302 | 0.0325227742 |
| 2.5290680936 | 0.0453650250 | 0.0446843939 | 0.0425541849 | 0.0386565175 | 0.0357313690 | 0.0344694759 | 0.0341944097 | 0.0323644410 |
| 2.5316073186 | 0.0451851210 | 0.0445036745 | 0.0423732360 | 0.0384829095 | 0.0355670953 | 0.0343095510 | 0.0340353941 | 0.0322060854 |
| 2.5341465436 | 0.0450047831 | 0.0443225489 | 0.0421919598 | 0.0383090961 | 0.0354026939 | 0.0341495302 | 0.0338762895 | 0.0320477134 |
| 2.5366857686 | 0.0448240197 | 0.0441410256 | 0.0420103647 | 0.0381350850 | 0.0352381719 | 0.0339894199 | 0.0337171023 | 0.0318893313 |
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_color_brewer(palette = "Paired") 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
pdf("../Manuscript/on-top-mu.pdf", family="Times", width=8, height=5) p dev.off()
3.6 One-body density
| R | 0.0 | 0.25 | 0.5 | 1.0 | 2.0 | 5.0 | Inf. | Jastrow |
|---|---|---|---|---|---|---|---|---|
| 0.0000000000 | 0.1632289754 | 0.1625058337 | 0.1614093700 | 0.1621637003 | 0.1632815018 | 0.1632347630 | 0.1630753669 | 0.1632289756 |
| 0.0025392250 | 0.1626190857 | 0.1618903122 | 0.1607858504 | 0.1615488262 | 0.1626704737 | 0.1626220193 | 0.1624621910 | 0.1626190859 |
| 0.0050784500 | 0.1621485697 | 0.1614145037 | 0.1603026855 | 0.1610743525 | 0.1621995433 | 0.1621493504 | 0.1619891262 | 0.1621485699 |
| 0.0076176750 | 0.1618174276 | 0.1610784089 | 0.1599598760 | 0.1607402781 | 0.1618687090 | 0.1618167544 | 0.1616561706 | 0.1618174279 |
| 0.0101569000 | 0.1616255914 | 0.1608819594 | 0.1597573530 | 0.1605465328 | 0.1616778999 | 0.1616241602 | 0.1614632530 | 0.1616255917 |
| 0.0126961250 | 0.1615729241 | 0.1608250183 | 0.1596949791 | 0.1604929772 | 0.1616269761 | 0.1615714278 | 0.1614102332 | 0.1615729244 |
| 0.0152353500 | 0.1616592207 | 0.1609073801 | 0.1597725474 | 0.1605794031 | 0.1617157290 | 0.1616583485 | 0.1614969023 | 0.1616592210 |
| 0.0177745750 | 0.1618842078 | 0.1611287709 | 0.1599897827 | 0.1608055335 | 0.1619438816 | 0.1618846450 | 0.1617229829 | 0.1618842081 |
| 0.0203137999 | 0.1622475444 | 0.1614888488 | 0.1603463414 | 0.1611710230 | 0.1623110886 | 0.1622499717 | 0.1620881292 | 0.1622475447 |
| 0.0228530249 | 0.1627488218 | 0.1619872045 | 0.1608418118 | 0.1616754582 | 0.1628169368 | 0.1627539154 | 0.1625919275 | 0.1627488222 |
| 0.0253922499 | 0.1633875646 | 0.1626233610 | 0.1614757146 | 0.1623183582 | 0.1634609455 | 0.1633959950 | 0.1632338967 | 0.1633875650 |
| 0.0279314749 | 0.1641632305 | 0.1633967749 | 0.1622475034 | 0.1630991748 | 0.1642425671 | 0.1641756628 | 0.1640134887 | 0.1641632308 |
| 0.0304706999 | 0.1650752111 | 0.1643068363 | 0.1631565653 | 0.1640172932 | 0.1651611875 | 0.1650923045 | 0.1649300888 | 0.1650752114 |
| 0.0330099249 | 0.1661228327 | 0.1653528698 | 0.1642022212 | 0.1650720326 | 0.1662161267 | 0.1661452399 | 0.1659830164 | 0.1661228331 |
| 0.0355491499 | 0.1673053566 | 0.1665341348 | 0.1653837266 | 0.1662626468 | 0.1674066396 | 0.1673337236 | 0.1671715258 | 0.1673053570 |
| 0.0380883749 | 0.1686219801 | 0.1678498265 | 0.1667002725 | 0.1675883249 | 0.1687319164 | 0.1686569455 | 0.1684948065 | 0.1686219805 |
| 0.0406275999 | 0.1700718368 | 0.1692990763 | 0.1681509859 | 0.1690481921 | 0.1701910835 | 0.1701140320 | 0.1699519844 | 0.1700718372 |
| 0.0431668249 | 0.1716539979 | 0.1708809530 | 0.1697349306 | 0.1706413104 | 0.1717832044 | 0.1717040462 | 0.1715421221 | 0.1716539984 |
| 0.0457060499 | 0.1733674727 | 0.1725944633 | 0.1714511082 | 0.1723666794 | 0.1735072805 | 0.1734259892 | 0.1732642204 | 0.1733674732 |
| 0.0482452749 | 0.1752112098 | 0.1744385529 | 0.1732984588 | 0.1742232375 | 0.1753622519 | 0.1752788010 | 0.1751172185 | 0.1752112103 |
| 0.0507844999 | 0.1771840975 | 0.1764121074 | 0.1752758622 | 0.1762098627 | 0.1773469984 | 0.1772613611 | 0.1770999955 | 0.1771840980 |
| 0.0533237249 | 0.1792849655 | 0.1785139533 | 0.1773821387 | 0.1783253733 | 0.1794603405 | 0.1793724898 | 0.1792113711 | 0.1792849660 |
| 0.0558629499 | 0.1815125854 | 0.1807428590 | 0.1796160504 | 0.1805685296 | 0.1817010406 | 0.1816109492 | 0.1814501068 | 0.1815125860 |
| 0.0584021749 | 0.1838656722 | 0.1830975358 | 0.1819763020 | 0.1829380343 | 0.1840678039 | 0.1839754442 | 0.1838149070 | 0.1838656727 |
| 0.0609413998 | 0.1863428848 | 0.1855766395 | 0.1844615419 | 0.1854325341 | 0.1865592795 | 0.1864646238 | 0.1863044199 | 0.1863428854 |
| 0.0634806248 | 0.1889428281 | 0.1881787708 | 0.1870703640 | 0.1880506208 | 0.1891740618 | 0.1890770822 | 0.1889172390 | 0.1889428287 |
| 0.0660198498 | 0.1916640532 | 0.1909024774 | 0.1898013079 | 0.1907908324 | 0.1919106918 | 0.1918113598 | 0.1916519043 | 0.1916640539 |
| 0.0685590748 | 0.1945050596 | 0.1937462543 | 0.1926528612 | 0.1936516544 | 0.1947676577 | 0.1946659448 | 0.1945069031 | 0.1945050603 |
| 0.0710982998 | 0.1974642958 | 0.1967085461 | 0.1956234602 | 0.1966315213 | 0.1977433971 | 0.1976392746 | 0.1974806720 | 0.1974642965 |
| 0.0736375248 | 0.2005401609 | 0.1997877475 | 0.1987114913 | 0.1997288176 | 0.2008362977 | 0.2007297365 | 0.2005715978 | 0.2005401616 |
| 0.0761767498 | 0.2037310059 | 0.2029822050 | 0.2019152924 | 0.2029418793 | 0.2040446988 | 0.2039356697 | 0.2037780188 | 0.2037310066 |
| 0.0787159748 | 0.2070351351 | 0.2062902186 | 0.2052331546 | 0.2062689956 | 0.2073668931 | 0.2072553666 | 0.2070982265 | 0.2070351359 |
| 0.0812551998 | 0.2104508077 | 0.2097100425 | 0.2086633231 | 0.2097084099 | 0.2108011274 | 0.2106870737 | 0.2105304669 | 0.2104508085 |
| 0.0837944248 | 0.2139762389 | 0.2132398872 | 0.2122039990 | 0.2132583215 | 0.2143456048 | 0.2142289939 | 0.2140729418 | 0.2139762398 |
| 0.0863336498 | 0.2176096018 | 0.2168779208 | 0.2158533410 | 0.2169168871 | 0.2179984858 | 0.2178792873 | 0.2177238107 | 0.2176096027 |
| 0.0888728748 | 0.2213490284 | 0.2206222703 | 0.2196094663 | 0.2206822222 | 0.2217578896 | 0.2216360732 | 0.2214811919 | 0.2213490293 |
| 0.0914120998 | 0.2251926117 | 0.2244710234 | 0.2234704527 | 0.2245524026 | 0.2256218962 | 0.2254974312 | 0.2253431643 | 0.2251926126 |
| 0.0939513248 | 0.2291384067 | 0.2284222300 | 0.2274343400 | 0.2285254664 | 0.2295885478 | 0.2294614031 | 0.2293077686 | 0.2291384077 |
| 0.0964905498 | 0.2331844325 | 0.2324739036 | 0.2314991313 | 0.2325994149 | 0.2336558498 | 0.2335259944 | 0.2333730096 | 0.2331844334 |
| 0.0990297747 | 0.2373286732 | 0.2366240231 | 0.2356627951 | 0.2367722147 | 0.2378217732 | 0.2376891756 | 0.2375368570 | 0.2373286742 |
| 0.1015689997 | 0.2415690804 | 0.2408705343 | 0.2399232665 | 0.2410417992 | 0.2420842559 | 0.2419488845 | 0.2417972474 | 0.2415690814 |
| 0.1041082247 | 0.2459035740 | 0.2452113516 | 0.2442784491 | 0.2454060702 | 0.2464412041 | 0.2463030271 | 0.2461520860 | 0.2459035751 |
| 0.1066474497 | 0.2503300444 | 0.2496443595 | 0.2487262164 | 0.2498628996 | 0.2508904942 | 0.2507494795 | 0.2505992481 | 0.2503300455 |
| 0.1091866747 | 0.2548463537 | 0.2541674143 | 0.2532644138 | 0.2544101308 | 0.2554299744 | 0.2552860898 | 0.2551365809 | 0.2548463548 |
| 0.1117258997 | 0.2594503377 | 0.2587783460 | 0.2578908599 | 0.2590455808 | 0.2600574665 | 0.2599106796 | 0.2597619047 | 0.2594503388 |
| 0.1142651247 | 0.2641398073 | 0.2634749594 | 0.2626033482 | 0.2637670416 | 0.2647707671 | 0.2646210453 | 0.2644730153 | 0.2641398084 |
| 0.1168043497 | 0.2689125503 | 0.2682550365 | 0.2673996491 | 0.2685722817 | 0.2695676499 | 0.2694149603 | 0.2692676850 | 0.2689125515 |
| 0.1193435747 | 0.2737663332 | 0.2731163375 | 0.2722775113 | 0.2734590482 | 0.2744458668 | 0.2742901766 | 0.2741436648 | 0.2737663344 |
| 0.1218827997 | 0.2786989025 | 0.2780566027 | 0.2772346636 | 0.2784250683 | 0.2794031502 | 0.2792444260 | 0.2790986858 | 0.2786989037 |
| 0.1244220247 | 0.2837079866 | 0.2830735545 | 0.2822688164 | 0.2834680507 | 0.2844372138 | 0.2842754225 | 0.2841304606 | 0.2837079879 |
| 0.1269612497 | 0.2887912974 | 0.2881648985 | 0.2873776636 | 0.2885856879 | 0.2895457552 | 0.2893808633 | 0.2892366857 | 0.2887912987 |
| 0.1295004747 | 0.2939465321 | 0.2933283256 | 0.2925588840 | 0.2937756571 | 0.2947264571 | 0.2945584309 | 0.2944150426 | 0.2939465335 |
| 0.1320396997 | 0.2991713746 | 0.2985615133 | 0.2978101434 | 0.2990356225 | 0.2999769887 | 0.2998057945 | 0.2996631994 | 0.2991713760 |
| 0.1345789247 | 0.3044634974 | 0.3038621278 | 0.3031290959 | 0.3043632366 | 0.3052950079 | 0.3051206120 | 0.3049788131 | 0.3044634989 |
| 0.1371181497 | 0.3098205630 | 0.3092278252 | 0.3085133854 | 0.3097561421 | 0.3106781629 | 0.3105005311 | 0.3103595304 | 0.3098205645 |
| 0.1396573746 | 0.3152402257 | 0.3146562533 | 0.3139606477 | 0.3152119732 | 0.3161240932 | 0.3159431915 | 0.3158029901 | 0.3152402272 |
| 0.1421965996 | 0.3207201329 | 0.3201450534 | 0.3194685119 | 0.3207283576 | 0.3216304320 | 0.3214462262 | 0.3213068240 | 0.3207201344 |
| 0.1447358246 | 0.3262579273 | 0.3256918614 | 0.3250346019 | 0.3263029179 | 0.3271948073 | 0.3270072631 | 0.3268686592 | 0.3262579289 |
| 0.1472750496 | 0.3318512479 | 0.3312943101 | 0.3306565382 | 0.3319332731 | 0.3328148436 | 0.3326239267 | 0.3324861192 | 0.3318512495 |
| 0.1498142746 | 0.3374977318 | 0.3369500300 | 0.3363319392 | 0.3376170404 | 0.3384881638 | 0.3382938397 | 0.3381568257 | 0.3374977335 |
| 0.1523534996 | 0.3431950158 | 0.3426566515 | 0.3420584232 | 0.3433518367 | 0.3442123902 | 0.3440146245 | 0.3438784000 | 0.3431950174 |
| 0.1548927246 | 0.3489407376 | 0.3484118060 | 0.3478336093 | 0.3491352800 | 0.3499851465 | 0.3497839046 | 0.3496484648 | 0.3489407393 |
| 0.1574319496 | 0.3547325379 | 0.3542131275 | 0.3536551195 | 0.3549649910 | 0.3558040589 | 0.3555993063 | 0.3554646454 | 0.3547325396 |
| 0.1599711746 | 0.3605680611 | 0.3600582542 | 0.3595205801 | 0.3608385947 | 0.3616667581 | 0.3614584601 | 0.3613245714 | 0.3605680629 |
| 0.1625103996 | 0.3664449577 | 0.3659448301 | 0.3654276227 | 0.3667537217 | 0.3675708803 | 0.3673590023 | 0.3672258780 | 0.3664449595 |
| 0.1650496246 | 0.3723608848 | 0.3718705059 | 0.3713738862 | 0.3727080098 | 0.3735140687 | 0.3732985763 | 0.3731662076 | 0.3723608866 |
| 0.1675888496 | 0.3783135080 | 0.3778329409 | 0.3773570180 | 0.3786991052 | 0.3794939755 | 0.3792748339 | 0.3791432113 | 0.3783135099 |
| 0.1701280746 | 0.3843005029 | 0.3838298043 | 0.3833746754 | 0.3847246641 | 0.3855082622 | 0.3852854369 | 0.3851545499 | 0.3843005048 |
| 0.1726672996 | 0.3903195559 | 0.3898587763 | 0.3894245268 | 0.3907823541 | 0.3915546021 | 0.3913280585 | 0.3911978955 | 0.3903195578 |
| 0.1752065246 | 0.3963683661 | 0.3959175498 | 0.3955042533 | 0.3968698551 | 0.3976306807 | 0.3974003844 | 0.3972709332 | 0.3963683681 |
| 0.1777457496 | 0.4024446465 | 0.4020038313 | 0.4016115499 | 0.4029848613 | 0.4037341978 | 0.4035001143 | 0.4033713615 | 0.4024446485 |
| 0.1802849745 | 0.4085461247 | 0.4081153425 | 0.4077441266 | 0.4091250818 | 0.4098628680 | 0.4096249630 | 0.4094968944 | 0.4085461267 |
| 0.1828241995 | 0.4146705448 | 0.4142498214 | 0.4138997099 | 0.4152882422 | 0.4160144226 | 0.4157726617 | 0.4156452623 | 0.4146705469 |
| 0.1853634245 | 0.4208156683 | 0.4204050233 | 0.4200760440 | 0.4214720857 | 0.4221866102 | 0.4219409594 | 0.4218142132 | 0.4208156705 |
| 0.1879026495 | 0.4269792754 | 0.4265787224 | 0.4262708916 | 0.4276743745 | 0.4283771984 | 0.4281276235 | 0.4280015139 | 0.4269792776 |
| 0.1904418745 | 0.4331591658 | 0.4327687125 | 0.4324820355 | 0.4338928904 | 0.4345839747 | 0.4343304418 | 0.4342049510 | 0.4331591680 |
| 0.1929810995 | 0.4393531601 | 0.4389728084 | 0.4387072794 | 0.4401254364 | 0.4408047474 | 0.4405472228 | 0.4404223324 | 0.4393531624 |
| 0.1955203245 | 0.4455591009 | 0.4451888466 | 0.4449444491 | 0.4463698378 | 0.4470373472 | 0.4467757970 | 0.4466514879 | 0.4455591032 |
| 0.1980595495 | 0.4517748535 | 0.4514146869 | 0.4511913935 | 0.4526239427 | 0.4532796276 | 0.4530140184 | 0.4528902704 | 0.4517748558 |
| 0.2005987745 | 0.4579983072 | 0.4576482128 | 0.4574459855 | 0.4588856234 | 0.4595294662 | 0.4592597647 | 0.4591365570 | 0.4579983096 |
| 0.2031379995 | 0.4642273761 | 0.4638873329 | 0.4637061233 | 0.4651527774 | 0.4657847658 | 0.4655109388 | 0.4653882498 | 0.4642273785 |
| 0.2056772245 | 0.4704599999 | 0.4701299813 | 0.4699697307 | 0.4714233282 | 0.4720434550 | 0.4717654696 | 0.4716432769 | 0.4704600024 |
| 0.2082164495 | 0.4766941452 | 0.4763741190 | 0.4762347585 | 0.4776952260 | 0.4783034894 | 0.4780213128 | 0.4778995934 | 0.4766941477 |
| 0.2107556745 | 0.4829278058 | 0.4826177347 | 0.4824991854 | 0.4839664489 | 0.4845628520 | 0.4842764518 | 0.4841551818 | 0.4829278083 |
| 0.2132948995 | 0.4891590039 | 0.4888588451 | 0.4887610182 | 0.4902350035 | 0.4908195547 | 0.4905288984 | 0.4904080533 | 0.4891590064 |
| 0.2158341245 | 0.4953857905 | 0.4950954962 | 0.4950182934 | 0.4964989256 | 0.4970716381 | 0.4967766939 | 0.4966562485 | 0.4953857930 |
| 0.2183733494 | 0.5016062466 | 0.5013257637 | 0.5012690770 | 0.5027562812 | 0.5033171733 | 0.5030179093 | 0.5028978377 | 0.5016062492 |
| 0.2209125744 | 0.5078184834 | 0.5075477540 | 0.5075114662 | 0.5090051668 | 0.5095542617 | 0.5092506465 | 0.5091309220 | 0.5078184861 |
| 0.2234517994 | 0.5140206435 | 0.5137596044 | 0.5137435892 | 0.5152437105 | 0.5157810361 | 0.5154730385 | 0.5153536341 | 0.5140206461 |
| 0.2259910244 | 0.5202109007 | 0.5199594844 | 0.5199636063 | 0.5214700722 | 0.5219956614 | 0.5216832505 | 0.5215641383 | 0.5202109034 |
| 0.2285302494 | 0.5263874615 | 0.5261455953 | 0.5261697102 | 0.5276824447 | 0.5281963348 | 0.5278794800 | 0.5277606317 | 0.5263874642 |
| 0.2310694744 | 0.5325485649 | 0.5323161717 | 0.5323601270 | 0.5338790534 | 0.5343812866 | 0.5340599577 | 0.5339413442 | 0.5325485676 |
| 0.2336086994 | 0.5386924834 | 0.5384694816 | 0.5385331160 | 0.5400581578 | 0.5405487808 | 0.5402229478 | 0.5401045396 | 0.5386924862 |
| 0.2361479244 | 0.5448175232 | 0.5446038266 | 0.5446869708 | 0.5462180513 | 0.5466971151 | 0.5463667485 | 0.5462485156 | 0.5448175260 |
| 0.2386871494 | 0.5509220246 | 0.5507175428 | 0.5508200194 | 0.5523570618 | 0.5528246220 | 0.5524896925 | 0.5523716043 | 0.5509220275 |
| 0.2412263744 | 0.5570043627 | 0.5568090010 | 0.5569306248 | 0.5584735521 | 0.5589296686 | 0.5585901474 | 0.5584721727 | 0.5570043655 |
| 0.2437655994 | 0.5630629472 | 0.5628766069 | 0.5630171851 | 0.5645659203 | 0.5650106573 | 0.5646665160 | 0.5645486232 | 0.5630629501 |
| 0.2463048244 | 0.5690962233 | 0.5689188016 | 0.5690781340 | 0.5706326001 | 0.5710660259 | 0.5707172364 | 0.5705993935 | 0.5690962263 |
| 0.2488440494 | 0.5751026718 | 0.5749340620 | 0.5751119410 | 0.5766720611 | 0.5770942481 | 0.5767407827 | 0.5766229572 | 0.5751026748 |
| 0.2513832744 | 0.5810808091 | 0.5809209007 | 0.5811171120 | 0.5826828091 | 0.5830938337 | 0.5827356652 | 0.5826178242 | 0.5810808121 |
| 0.2539224994 | 0.5870291877 | 0.5868778666 | 0.5870921887 | 0.5886633860 | 0.5890633287 | 0.5887004303 | 0.5885825403 | 0.5870291908 |
| 0.2564617244 | 0.5929463963 | 0.5928035447 | 0.5930357498 | 0.5946123705 | 0.5950013154 | 0.5946336607 | 0.5945156881 | 0.5929463994 |
| 0.2590009493 | 0.5988310599 | 0.5986965566 | 0.5989464105 | 0.6005283779 | 0.6009064129 | 0.6005339761 | 0.6004158868 | 0.5988310630 |
| 0.2615401743 | 0.6046818400 | 0.6045555605 | 0.6048228226 | 0.6064100602 | 0.6067772771 | 0.6064000326 | 0.6062817922 | 0.6046818431 |
| 0.2640793993 | 0.6104974347 | 0.6103792511 | 0.6106636750 | 0.6122561065 | 0.6126126004 | 0.6122305232 | 0.6121120969 | 0.6104974378 |
| 0.2666186243 | 0.6162765785 | 0.6161663600 | 0.6164676934 | 0.6180652427 | 0.6184111124 | 0.6180241780 | 0.6179055307 | 0.6162765817 |
| 0.2691578493 | 0.6220180429 | 0.6219156554 | 0.6222336406 | 0.6238362316 | 0.6241715792 | 0.6237797636 | 0.6236608600 | 0.6220180461 |
| 0.2716970743 | 0.6277206356 | 0.6276259423 | 0.6279603161 | 0.6295678732 | 0.6298928041 | 0.6294960838 | 0.6293768883 | 0.6277206388 |
| 0.2742362993 | 0.6333832012 | 0.6332960625 | 0.6336465566 | 0.6352590043 | 0.6355736272 | 0.6351719791 | 0.6350524558 | 0.6333832045 |
| 0.2767755243 | 0.6390046207 | 0.6389248942 | 0.6392912354 | 0.6409084985 | 0.6412129253 | 0.6408063268 | 0.6406864396 | 0.6390046240 |
| 0.2793147493 | 0.6445838116 | 0.6445113524 | 0.6448932626 | 0.6465152664 | 0.6468096118 | 0.6463980411 | 0.6462777537 | 0.6445838149 |
| 0.2818539743 | 0.6501197277 | 0.6500543885 | 0.6504515853 | 0.6520782550 | 0.6523626369 | 0.6519460724 | 0.6518253483 | 0.6501197311 |
| 0.2843931993 | 0.6556113590 | 0.6555529900 | 0.6559651865 | 0.6575964481 | 0.6578709871 | 0.6574494079 | 0.6573282105 | 0.6556113624 |
| 0.2869324243 | 0.6610577315 | 0.6610061808 | 0.6614330861 | 0.6630688656 | 0.6633336851 | 0.6629070708 | 0.6627853633 | 0.6610577349 |
| 0.2894716493 | 0.6664579070 | 0.6664130205 | 0.6668543399 | 0.6684945638 | 0.6687497899 | 0.6683181207 | 0.6681958660 | 0.6664579105 |
| 0.2920108743 | 0.6718109832 | 0.6717726047 | 0.6722280396 | 0.6738726347 | 0.6741183960 | 0.6736816526 | 0.6735588139 | 0.6718109867 |
| 0.2945500993 | 0.6771160927 | 0.6770840643 | 0.6775533126 | 0.6792022063 | 0.6794386340 | 0.6789967976 | 0.6788733376 | 0.6771160963 |
| 0.2970893242 | 0.6823724037 | 0.6823465655 | 0.6828293218 | 0.6844824418 | 0.6847096693 | 0.6842627219 | 0.6841386034 | 0.6823724072 |
| 0.2996285492 | 0.6875791188 | 0.6875593094 | 0.6880552653 | 0.6897125396 | 0.6899307028 | 0.6894786267 | 0.6893538125 | 0.6875791224 |
| 0.3021677742 | 0.6927354755 | 0.6927215317 | 0.6932303759 | 0.6948917331 | 0.6951009700 | 0.6946437483 | 0.6945182010 | 0.6927354792 |
| 0.3047069992 | 0.6978407454 | 0.6978325027 | 0.6983539211 | 0.7000192901 | 0.7002197407 | 0.6997573570 | 0.6996310394 | 0.6978407491 |
| 0.3072462242 | 0.7028942340 | 0.7028915264 | 0.7034252024 | 0.7050945126 | 0.7052863192 | 0.7048187577 | 0.7046916323 | 0.7028942377 |
| 0.3097854492 | 0.7078952803 | 0.7078979405 | 0.7084435552 | 0.7101167367 | 0.7103000431 | 0.7098272885 | 0.7096993182 | 0.7078952840 |
| 0.3123246742 | 0.7128432565 | 0.7128511162 | 0.7134083485 | 0.7150853315 | 0.7152602837 | 0.7147823215 | 0.7146534689 | 0.7128432602 |
| 0.3148638992 | 0.7177375674 | 0.7177504572 | 0.7183189841 | 0.7199996996 | 0.7201664451 | 0.7196832612 | 0.7195534891 | 0.7177375712 |
| 0.3174031242 | 0.7225776505 | 0.7225953999 | 0.7231748967 | 0.7248592759 | 0.7250179640 | 0.7245295450 | 0.7243988163 | 0.7225776543 |
| 0.3199423492 | 0.7273629750 | 0.7273854127 | 0.7279755531 | 0.7296635279 | 0.7298143093 | 0.7293206424 | 0.7291889200 | 0.7273629788 |
| 0.3224815742 | 0.7320930417 | 0.7321199956 | 0.7327204519 | 0.7344119546 | 0.7345549815 | 0.7340560545 | 0.7339233015 | 0.7320930455 |
| 0.3250207992 | 0.7367673824 | 0.7367986798 | 0.7374091229 | 0.7391040865 | 0.7392395124 | 0.7387353138 | 0.7386014933 | 0.7367673862 |
| 0.3275600242 | 0.7413855596 | 0.7414210272 | 0.7420411272 | 0.7437394849 | 0.7438674647 | 0.7433579835 | 0.7432230588 | 0.7413855634 |
| 0.3300992492 | 0.7459471658 | 0.7459866300 | 0.7466160560 | 0.7483177416 | 0.7484384313 | 0.7479236572 | 0.7477875917 | 0.7459471697 |
| 0.3326384742 | 0.7504518235 | 0.7504951099 | 0.7511335303 | 0.7528384784 | 0.7529520349 | 0.7524319583 | 0.7522947156 | 0.7504518274 |
| 0.3351776992 | 0.7548991839 | 0.7549461182 | 0.7555932009 | 0.7573013462 | 0.7574079278 | 0.7568825395 | 0.7567440834 | 0.7548991879 |
| 0.3377169241 | 0.7592889273 | 0.7593393347 | 0.7599947472 | 0.7617060253 | 0.7618057909 | 0.7612750824 | 0.7611353769 | 0.7592889313 |
| 0.3402561491 | 0.7636207619 | 0.7636744677 | 0.7643378773 | 0.7660522240 | 0.7661453334 | 0.7656092970 | 0.7654683063 | 0.7636207659 |
| 0.3427953741 | 0.7678944236 | 0.7679512531 | 0.7686223270 | 0.7703396788 | 0.7704262925 | 0.7698849210 | 0.7697426094 | 0.7678944277 |
| 0.3453345991 | 0.7721096756 | 0.7721694539 | 0.7728478596 | 0.7745681533 | 0.7746484326 | 0.7741017193 | 0.7739580516 | 0.7721096797 |
| 0.3478738241 | 0.7762663075 | 0.7763288601 | 0.7770142651 | 0.7787374383 | 0.7788115449 | 0.7782594839 | 0.7781144249 | 0.7762663116 |
| 0.3504130491 | 0.7803641351 | 0.7804292875 | 0.7811213599 | 0.7828473506 | 0.7829154467 | 0.7823580326 | 0.7822115476 | 0.7803641392 |
| 0.3529522741 | 0.7844029997 | 0.7844705778 | 0.7851689862 | 0.7868977329 | 0.7869599810 | 0.7863972092 | 0.7862492635 | 0.7844030038 |
| 0.3554914991 | 0.7883827674 | 0.7884525978 | 0.7891570114 | 0.7908884529 | 0.7909450161 | 0.7903768825 | 0.7902274419 | 0.7883827715 |
| 0.3580307241 | 0.7923033292 | 0.7923752384 | 0.7930853274 | 0.7948194033 | 0.7948704447 | 0.7942969458 | 0.7941459763 | 0.7923033333 |
| 0.3605699491 | 0.7961645995 | 0.7962384150 | 0.7969538504 | 0.7986905007 | 0.7987361835 | 0.7981573165 | 0.7980047844 | 0.7961646036 |
| 0.3631091741 | 0.7999665164 | 0.8000420660 | 0.8007625201 | 0.8025016853 | 0.8025421728 | 0.8019579354 | 0.8018038075 | 0.7999665205 |
| 0.3656483991 | 0.8037090405 | 0.8037861530 | 0.8045112992 | 0.8062529201 | 0.8062883758 | 0.8056987665 | 0.8055430097 | 0.8037090447 |
| 0.3681876241 | 0.8073921550 | 0.8074706597 | 0.8082001728 | 0.8099441909 | 0.8099747780 | 0.8093797956 | 0.8092223774 | 0.8073921592 |
| 0.3707268491 | 0.8110158645 | 0.8110955915 | 0.8118291479 | 0.8135755051 | 0.8136013866 | 0.8130010309 | 0.8128419188 | 0.8110158687 |
| 0.3732660741 | 0.8145801947 | 0.8146609753 | 0.8153982528 | 0.8171468914 | 0.8171682302 | 0.8165625013 | 0.8164016636 | 0.8145801990 |
| 0.3758052990 | 0.8180851921 | 0.8181668583 | 0.8189075366 | 0.8206583994 | 0.8206753580 | 0.8200642568 | 0.8199016618 | 0.8180851964 |
| 0.3783445240 | 0.8215309231 | 0.8216133080 | 0.8223570687 | 0.8241100988 | 0.8241228394 | 0.8235063672 | 0.8233419838 | 0.8215309273 |
| 0.3808837490 | 0.8249174734 | 0.8250004113 | 0.8257469378 | 0.8275020790 | 0.8275107631 | 0.8268889220 | 0.8267227195 | 0.8249174777 |
| 0.3834229740 | 0.8282449480 | 0.8283282741 | 0.8290772520 | 0.8308344482 | 0.8308392370 | 0.8302120296 | 0.8300439777 | 0.8282449523 |
| 0.3859621990 | 0.8315134699 | 0.8315970208 | 0.8323481378 | 0.8341073336 | 0.8341083876 | 0.8334758170 | 0.8333058857 | 0.8315134742 |
| 0.3885014240 | 0.8347231800 | 0.8348067936 | 0.8355597397 | 0.8373208800 | 0.8373183590 | 0.8366804291 | 0.8365085889 | 0.8347231844 |
| 0.3910406490 | 0.8378742368 | 0.8379577522 | 0.8387122197 | 0.8404752497 | 0.8404693128 | 0.8398260278 | 0.8396522497 | 0.8378742411 |
| 0.3935798740 | 0.8409668150 | 0.8410500727 | 0.8418057567 | 0.8435706219 | 0.8435614275 | 0.8429127924 | 0.8427370477 | 0.8409668194 |
| 0.3961190990 | 0.8440011059 | 0.8440839480 | 0.8448405457 | 0.8466071923 | 0.8465948976 | 0.8459409178 | 0.8457631784 | 0.8440011103 |
| 0.3986583240 | 0.8469773164 | 0.8470595862 | 0.8478167978 | 0.8495851720 | 0.8495699336 | 0.8489106153 | 0.8487308534 | 0.8469773208 |
| 0.4011975490 | 0.8498956685 | 0.8499772111 | 0.8507347393 | 0.8525047879 | 0.8524867612 | 0.8518221108 | 0.8516402992 | 0.8498956729 |
| 0.4037367740 | 0.8527563988 | 0.8528370606 | 0.8535946113 | 0.8553662811 | 0.8553456206 | 0.8546756453 | 0.8544917572 | 0.8527564032 |
| 0.4062759990 | 0.8555597580 | 0.8556393874 | 0.8563966689 | 0.8581699074 | 0.8581467662 | 0.8574714738 | 0.8572854829 | 0.8555597625 |
| 0.4088152240 | 0.8583060105 | 0.8583844572 | 0.8591411812 | 0.8609159360 | 0.8608904663 | 0.8602098649 | 0.8600217453 | 0.8583060150 |
| 0.4113544490 | 0.8609954338 | 0.8610725494 | 0.8618284305 | 0.8636046494 | 0.8635770020 | 0.8628911003 | 0.8627008268 | 0.8609954382 |
| 0.4138936740 | 0.8636283178 | 0.8637039557 | 0.8644587116 | 0.8662363428 | 0.8662066672 | 0.8655154747 | 0.8653230223 | 0.8636283223 |
| 0.4164328989 | 0.8662049647 | 0.8662789800 | 0.8670323317 | 0.8688113235 | 0.8687797680 | 0.8680832944 | 0.8678886388 | 0.8662049692 |
| 0.4189721239 | 0.8687256883 | 0.8687979379 | 0.8695496096 | 0.8713299108 | 0.8712966222 | 0.8705948776 | 0.8703979950 | 0.8687256928 |
| 0.4215113489 | 0.8711908134 | 0.8712611561 | 0.8720108754 | 0.8737924349 | 0.8737575584 | 0.8730505538 | 0.8728514208 | 0.8711908180 |
| 0.4240505739 | 0.8736006757 | 0.8736689723 | 0.8744164700 | 0.8761992369 | 0.8761629163 | 0.8754506630 | 0.8752492568 | 0.8736006802 |
| 0.4265897989 | 0.8759556209 | 0.8760217340 | 0.8767667446 | 0.8785506681 | 0.8785130458 | 0.8777955555 | 0.8775918537 | 0.8759556254 |
| 0.4291290239 | 0.8782560045 | 0.8783197987 | 0.8790620601 | 0.8808470898 | 0.8808083063 | 0.8800855913 | 0.8798795722 | 0.8782560090 |
| 0.4316682489 | 0.8805021913 | 0.8805635334 | 0.8813027869 | 0.8830888723 | 0.8830490667 | 0.8823211398 | 0.8821127820 | 0.8805021959 |
| 0.4342074739 | 0.8826945550 | 0.8827533135 | 0.8834893043 | 0.8852763953 | 0.8852357048 | 0.8845025791 | 0.8842918619 | 0.8826945596 |
| 0.4367466989 | 0.8848334777 | 0.8848895234 | 0.8856220001 | 0.8874100466 | 0.8873686067 | 0.8866302959 | 0.8864171992 | 0.8848334823 |
| 0.4392859239 | 0.8869193495 | 0.8869725551 | 0.8877012702 | 0.8894902222 | 0.8894481666 | 0.8887046849 | 0.8884891888 | 0.8869193541 |
| 0.4418251489 | 0.8889525680 | 0.8890028084 | 0.8897275180 | 0.8915173257 | 0.8914747864 | 0.8907261482 | 0.8905082337 | 0.8889525726 |
| 0.4443643739 | 0.8909335380 | 0.8909806903 | 0.8917011543 | 0.8934917678 | 0.8934488749 | 0.8926950952 | 0.8924747436 | 0.8909335426 |
| 0.4469035989 | 0.8928626712 | 0.8929066145 | 0.8936225966 | 0.8954139664 | 0.8953708478 | 0.8946119421 | 0.8943891353 | 0.8928626758 |
| 0.4494428239 | 0.8947403854 | 0.8947810011 | 0.8954922688 | 0.8972843452 | 0.8972411272 | 0.8964771112 | 0.8962518317 | 0.8947403900 |
| 0.4519820489 | 0.8965671046 | 0.8966042762 | 0.8973106010 | 0.8991033344 | 0.8990601412 | 0.8982910312 | 0.8980632620 | 0.8965671093 |
| 0.4545212739 | 0.8983432584 | 0.8983768716 | 0.8990780288 | 0.9008713697 | 0.9008283233 | 0.9000541359 | 0.8998238605 | 0.8983432630 |
| 0.4570604988 | 0.9000692814 | 0.9000992243 | 0.9007949932 | 0.9025888920 | 0.9025461125 | 0.9017668648 | 0.9015340673 | 0.9000692861 |
| 0.4595997238 | 0.9017456134 | 0.9017717761 | 0.9024619399 | 0.9042563471 | 0.9042139526 | 0.9034296618 | 0.9031943268 | 0.9017456180 |
| 0.4621389488 | 0.9033726985 | 0.9033949735 | 0.9040793194 | 0.9058741854 | 0.9058322917 | 0.9050429757 | 0.9048050884 | 0.9033727031 |
| 0.4646781738 | 0.9049509850 | 0.9049692670 | 0.9056475862 | 0.9074428615 | 0.9074015822 | 0.9066072592 | 0.9063668052 | 0.9049509897 |
| 0.4672173988 | 0.9064809251 | 0.9064951112 | 0.9071671989 | 0.9089628338 | 0.9089222805 | 0.9081229689 | 0.9078799345 | 0.9064809298 |
| 0.4697566238 | 0.9079629746 | 0.9079729639 | 0.9086386194 | 0.9104345643 | 0.9103948462 | 0.9095905649 | 0.9093449369 | 0.9079629793 |
| 0.4722958488 | 0.9093975923 | 0.9094032865 | 0.9100623130 | 0.9118585181 | 0.9118197424 | 0.9110105104 | 0.9107622762 | 0.9093975970 |
| 0.4748350738 | 0.9107852400 | 0.9107865429 | 0.9114387479 | 0.9132351632 | 0.9131974346 | 0.9123832716 | 0.9121324191 | 0.9107852447 |
| 0.4773742988 | 0.9121263820 | 0.9121231999 | 0.9127683947 | 0.9145649704 | 0.9145283914 | 0.9137093172 | 0.9134558347 | 0.9121263867 |
| 0.4799135238 | 0.9134214851 | 0.9134137265 | 0.9140517266 | 0.9158484125 | 0.9158130833 | 0.9149891179 | 0.9147329945 | 0.9134214898 |
| 0.4824527488 | 0.9146710178 | 0.9146585935 | 0.9152892185 | 0.9170859644 | 0.9170519829 | 0.9162231468 | 0.9159643719 | 0.9146710225 |
| 0.4849919738 | 0.9158754505 | 0.9158582737 | 0.9164813473 | 0.9182781029 | 0.9182455644 | 0.9174118785 | 0.9171504421 | 0.9158754552 |
| 0.4875311988 | 0.9170352552 | 0.9170132413 | 0.9176285911 | 0.9194253060 | 0.9193943037 | 0.9185557888 | 0.9182916816 | 0.9170352599 |
| 0.4900704238 | 0.9181509047 | 0.9181239716 | 0.9187314296 | 0.9205280529 | 0.9204986775 | 0.9196553550 | 0.9193885681 | 0.9181509094 |
| 0.4926096488 | 0.9192228731 | 0.9191909409 | 0.9197903429 | 0.9215868239 | 0.9215591637 | 0.9207110551 | 0.9204415802 | 0.9192228778 |
| 0.4951488737 | 0.9202516351 | 0.9202146262 | 0.9208058123 | 0.9226020998 | 0.9225762407 | 0.9217233679 | 0.9214511971 | 0.9202516398 |
| 0.4976880987 | 0.9212376657 | 0.9211955051 | 0.9217783193 | 0.9235743621 | 0.9235503874 | 0.9226927724 | 0.9224178985 | 0.9212376705 |
| 0.5002273237 | 0.9221814404 | 0.9221340551 | 0.9227083455 | 0.9245040921 | 0.9244820828 | 0.9236197481 | 0.9233421642 | 0.9221814451 |
| 0.5027665487 | 0.9230834345 | 0.9230307539 | 0.9235963728 | 0.9253917715 | 0.9253718061 | 0.9245047740 | 0.9242244741 | 0.9230834392 |
| 0.5053057737 | 0.9239441231 | 0.9238860790 | 0.9244428827 | 0.9262378815 | 0.9262200359 | 0.9253483294 | 0.9250653076 | 0.9239441278 |
| 0.5078449987 | 0.9247639810 | 0.9247005075 | 0.9252483563 | 0.9270429030 | 0.9270272508 | 0.9261508927 | 0.9258651439 | 0.9247639857 |
| 0.5103842237 | 0.9255434823 | 0.9254745158 | 0.9260132739 | 0.9278073161 | 0.9277939282 | 0.9269129418 | 0.9266244613 | 0.9255434870 |
| 0.5129234487 | 0.9262831003 | 0.9262085795 | 0.9267381153 | 0.9285316001 | 0.9285205451 | 0.9276349538 | 0.9273437375 | 0.9262831050 |
| 0.5154626737 | 0.9269833073 | 0.9269031731 | 0.9274233591 | 0.9292162335 | 0.9292075773 | 0.9283174047 | 0.9280234489 | 0.9269833120 |
| 0.5180018987 | 0.9276445744 | 0.9275587702 | 0.9280694826 | 0.9298616933 | 0.9298554993 | 0.9289607692 | 0.9286640708 | 0.9276445791 |
| 0.5205411237 | 0.9282673715 | 0.9281758427 | 0.9286769619 | 0.9304684553 | 0.9304647844 | 0.9295655207 | 0.9292660771 | 0.9282673762 |
| 0.5230803487 | 0.9288521667 | 0.9287548613 | 0.9292462715 | 0.9310369936 | 0.9310359041 | 0.9301321311 | 0.9298299401 | 0.9288521715 |
| 0.5256195737 | 0.9293994268 | 0.9292962947 | 0.9297778842 | 0.9315677807 | 0.9315693285 | 0.9306610703 | 0.9303561304 | 0.9293994315 |
| 0.5281587987 | 0.9299096164 | 0.9298006100 | 0.9302722709 | 0.9320612872 | 0.9320655256 | 0.9311528067 | 0.9308451167 | 0.9299096212 |
| 0.5306980237 | 0.9303831985 | 0.9302682722 | 0.9307299005 | 0.9325179817 | 0.9325249615 | 0.9316078064 | 0.9312973656 | 0.9303832032 |
| 0.5332372487 | 0.9308206337 | 0.9306997444 | 0.9311512399 | 0.9329383307 | 0.9329480999 | 0.9320265335 | 0.9317133418 | 0.9308206384 |
| 0.5357764736 | 0.9312223804 | 0.9310954870 | 0.9315367535 | 0.9333227983 | 0.9333354027 | 0.9324094497 | 0.9320935074 | 0.9312223851 |
| 0.5383156986 | 0.9315888948 | 0.9314559585 | 0.9318869035 | 0.9336718462 | 0.9336873289 | 0.9327570143 | 0.9324383223 | 0.9315888995 |
| 0.5408549236 | 0.9319206304 | 0.9317816146 | 0.9322021494 | 0.9339859337 | 0.9340043352 | 0.9330696841 | 0.9327482437 | 0.9319206351 |
| 0.5433941486 | 0.9322180383 | 0.9320729085 | 0.9324829482 | 0.9342655173 | 0.9342868758 | 0.9333479133 | 0.9330237262 | 0.9322180430 |
| 0.5459333736 | 0.9324815668 | 0.9323302906 | 0.9327297540 | 0.9345110508 | 0.9345354017 | 0.9335921533 | 0.9332652216 | 0.9324815715 |
| 0.5484725986 | 0.9327116612 | 0.9325542085 | 0.9329430180 | 0.9347229851 | 0.9347503614 | 0.9338028524 | 0.9334731789 | 0.9327116659 |
| 0.5510118236 | 0.9329087642 | 0.9327451068 | 0.9331231888 | 0.9349017683 | 0.9349322005 | 0.9339804563 | 0.9336480441 | 0.9329087690 |
| 0.5535510486 | 0.9330733153 | 0.9329034273 | 0.9332707115 | 0.9350478451 | 0.9350813611 | 0.9341254073 | 0.9337902601 | 0.9330733201 |
| 0.5560902736 | 0.9332057509 | 0.9330296084 | 0.9333860283 | 0.9351616573 | 0.9351982826 | 0.9342381449 | 0.9339002666 | 0.9332057557 |
| 0.5586294986 | 0.9333065043 | 0.9331240855 | 0.9334695780 | 0.9352436434 | 0.9352834010 | 0.9343191050 | 0.9339785002 | 0.9333065091 |
| 0.5611687236 | 0.9333760055 | 0.9331872905 | 0.9335217963 | 0.9352942386 | 0.9353371490 | 0.9343687204 | 0.9340253940 | 0.9333760102 |
| 0.5637079486 | 0.9334146811 | 0.9332196522 | 0.9335431154 | 0.9353138746 | 0.9353599559 | 0.9343874206 | 0.9340413779 | 0.9334146858 |
| 0.5662471736 | 0.9334229543 | 0.9332215958 | 0.9335339640 | 0.9353029799 | 0.9353522475 | 0.9343756313 | 0.9340268782 | 0.9334229590 |
| 0.5687863986 | 0.9334012450 | 0.9331935431 | 0.9334947672 | 0.9352619792 | 0.9353144463 | 0.9343337751 | 0.9339823177 | 0.9334012497 |
| 0.5713256236 | 0.9333499693 | 0.9331359123 | 0.9334259468 | 0.9351912937 | 0.9352469709 | 0.9342622708 | 0.9339081156 | 0.9333499741 |
| 0.5738648485 | 0.9332695401 | 0.9330491180 | 0.9333279207 | 0.9350913410 | 0.9351502367 | 0.9341615334 | 0.9338046877 | 0.9332695448 |
| 0.5764040735 | 0.9331603662 | 0.9329335712 | 0.9332011032 | 0.9349625350 | 0.9350246550 | 0.9340319746 | 0.9336724457 | 0.9331603709 |
| 0.5789432985 | 0.9330228530 | 0.9327896791 | 0.9330459049 | 0.9348052858 | 0.9348706335 | 0.9338740021 | 0.9335117979 | 0.9330228577 |
| 0.5814825235 | 0.9328574022 | 0.9326178453 | 0.9328627326 | 0.9346199998 | 0.9346885764 | 0.9336880199 | 0.9333231486 | 0.9328574069 |
| 0.5840217485 | 0.9326644116 | 0.9324184694 | 0.9326519891 | 0.9344070795 | 0.9344788837 | 0.9334744282 | 0.9331068984 | 0.9326644163 |
| 0.5865609735 | 0.9324442752 | 0.9321919474 | 0.9324140736 | 0.9341669236 | 0.9342419518 | 0.9332336232 | 0.9328634441 | 0.9324442799 |
| 0.5891001985 | 0.9321973833 | 0.9319386713 | 0.9321493812 | 0.9338999268 | 0.9339781730 | 0.9329659975 | 0.9325931784 | 0.9321973880 |
| 0.5916394235 | 0.9319241222 | 0.9316590291 | 0.9318583032 | 0.9336064801 | 0.9336879361 | 0.9326719396 | 0.9322964903 | 0.9319241269 |
| 0.5941786485 | 0.9316248744 | 0.9313534053 | 0.9315412269 | 0.9332869702 | 0.9333716255 | 0.9323518340 | 0.9319737647 | 0.9316248791 |
| 0.5967178735 | 0.9313000184 | 0.9310221800 | 0.9311985357 | 0.9329417801 | 0.9330296220 | 0.9320060615 | 0.9316253827 | 0.9313000231 |
| 0.5992570985 | 0.9309499289 | 0.9306657296 | 0.9308306088 | 0.9325712887 | 0.9326623022 | 0.9316349987 | 0.9312517212 | 0.9309499335 |
| 0.6017963235 | 0.9305749764 | 0.9302844264 | 0.9304378216 | 0.9321758710 | 0.9322700389 | 0.9312390183 | 0.9308531534 | 0.9305749810 |
| 0.6043355485 | 0.9301755277 | 0.9298786390 | 0.9300205453 | 0.9317558978 | 0.9318532006 | 0.9308184889 | 0.9304300482 | 0.9301755324 |
| 0.6068747735 | 0.9297519457 | 0.9294487316 | 0.9295791473 | 0.9313117361 | 0.9314121523 | 0.9303737752 | 0.9299827707 | 0.9297519503 |
| 0.6094139985 | 0.9293045889 | 0.9289950647 | 0.9291139908 | 0.9308437487 | 0.9309472544 | 0.9299052379 | 0.9295116818 | 0.9293045935 |
| 0.6119532235 | 0.9288338122 | 0.9285179946 | 0.9286254349 | 0.9303522943 | 0.9304588637 | 0.9294132336 | 0.9290171385 | 0.9288338168 |
| 0.6144924484 | 0.9283399664 | 0.9280178738 | 0.9281138348 | 0.9298377277 | 0.9299473329 | 0.9288981148 | 0.9284994937 | 0.9283399710 |
| 0.6170316734 | 0.9278233984 | 0.9274950506 | 0.9275795415 | 0.9293003995 | 0.9294130105 | 0.9283602302 | 0.9279590964 | 0.9278234030 |
| 0.6195708984 | 0.9272844508 | 0.9269498694 | 0.9270229021 | 0.9287406566 | 0.9288562411 | 0.9277999243 | 0.9273962913 | 0.9272844554 |
| 0.6221101234 | 0.9267234627 | 0.9263826705 | 0.9264442595 | 0.9281588414 | 0.9282773654 | 0.9272175377 | 0.9268114193 | 0.9267234673 |
| 0.6246493484 | 0.9261407688 | 0.9257937903 | 0.9258439527 | 0.9275552926 | 0.9276767200 | 0.9266134068 | 0.9262048173 | 0.9261407734 |
| 0.6271885734 | 0.9255367002 | 0.9251835612 | 0.9252223166 | 0.9269303447 | 0.9270546373 | 0.9259878642 | 0.9255768181 | 0.9255367048 |
| 0.6297277984 | 0.9249115838 | 0.9245523117 | 0.9245796821 | 0.9262843282 | 0.9264114461 | 0.9253412385 | 0.9249277505 | 0.9249115883 |
| 0.6322670234 | 0.9242657425 | 0.9239003661 | 0.9239163762 | 0.9256175699 | 0.9257474710 | 0.9246738542 | 0.9242579394 | 0.9242657471 |
| 0.6348062484 | 0.9235994957 | 0.9232280450 | 0.9232327216 | 0.9249303921 | 0.9250630327 | 0.9239860320 | 0.9235677057 | 0.9235995002 |
| 0.6373454734 | 0.9229131584 | 0.9225356650 | 0.9225290374 | 0.9242231136 | 0.9243584479 | 0.9232780885 | 0.9228573665 | 0.9229131629 |
| 0.6398846984 | 0.9222070420 | 0.9218235387 | 0.9218056385 | 0.9234960490 | 0.9236340295 | 0.9225503366 | 0.9221272346 | 0.9222070465 |
| 0.6424239234 | 0.9214814540 | 0.9210919749 | 0.9210628360 | 0.9227495091 | 0.9228900865 | 0.9218030850 | 0.9213776193 | 0.9214814585 |
| 0.6449631484 | 0.9207366980 | 0.9203412785 | 0.9203009370 | 0.9219838007 | 0.9221269238 | 0.9210366388 | 0.9206088257 | 0.9207367025 |
| 0.6475023734 | 0.9199730738 | 0.9195717506 | 0.9195202449 | 0.9211992268 | 0.9213448428 | 0.9202512991 | 0.9198211554 | 0.9199730783 |
| 0.6500415984 | 0.9191908774 | 0.9187836885 | 0.9187210589 | 0.9203960865 | 0.9205441409 | 0.9194473633 | 0.9190149059 | 0.9191908820 |
| 0.6525808233 | 0.9183904011 | 0.9179773855 | 0.9179036747 | 0.9195746751 | 0.9197251115 | 0.9186251248 | 0.9181903709 | 0.9183904056 |
| 0.6551200483 | 0.9175719334 | 0.9171531314 | 0.9170683839 | 0.9187352841 | 0.9188880447 | 0.9177848735 | 0.9173478405 | 0.9175719379 |
| 0.6576592733 | 0.9167357590 | 0.9163112120 | 0.9162154745 | 0.9178782012 | 0.9180332264 | 0.9169268952 | 0.9164876008 | 0.9167357635 |
| 0.6601984983 | 0.9158821591 | 0.9154519097 | 0.9153452309 | 0.9170037103 | 0.9171609391 | 0.9160514724 | 0.9156099344 | 0.9158821635 |
| 0.6627377233 | 0.9150114110 | 0.9145755030 | 0.9144579333 | 0.9161120917 | 0.9162714615 | 0.9151588837 | 0.9147151202 | 0.9150114155 |
| 0.6652769483 | 0.9141237887 | 0.9136822668 | 0.9135538587 | 0.9152036221 | 0.9153650686 | 0.9142494039 | 0.9138034332 | 0.9141237932 |
| 0.6678161733 | 0.9132195623 | 0.9127724723 | 0.9126332802 | 0.9142785743 | 0.9144420319 | 0.9133233045 | 0.9128751452 | 0.9132195668 |
| 0.6703553983 | 0.9122989986 | 0.9118463874 | 0.9116964672 | 0.9133372176 | 0.9135026192 | 0.9123808532 | 0.9119305240 | 0.9122990031 |
| 0.6728946233 | 0.9113623607 | 0.9109042760 | 0.9107436858 | 0.9123798179 | 0.9125470949 | 0.9114223143 | 0.9109698340 | 0.9113623651 |
| 0.6754338483 | 0.9104099082 | 0.9099463990 | 0.9097751983 | 0.9114066373 | 0.9115757197 | 0.9104479484 | 0.9099933363 | 0.9104099126 |
| 0.6779730733 | 0.9094418974 | 0.9089730135 | 0.9087912635 | 0.9104179344 | 0.9105887511 | 0.9094580128 | 0.9090012882 | 0.9094419018 |
| 0.6805122983 | 0.9084585811 | 0.9079843731 | 0.9077921369 | 0.9094139647 | 0.9095864429 | 0.9084527614 | 0.9079939437 | 0.9084585855 |
| 0.6830515233 | 0.9074602087 | 0.9069807283 | 0.9067780703 | 0.9083949797 | 0.9085690456 | 0.9074324444 | 0.9069715534 | 0.9074602131 |
| 0.6855907483 | 0.9064470262 | 0.9059623259 | 0.9057493123 | 0.9073612280 | 0.9075368063 | 0.9063973091 | 0.9059343645 | 0.9064470306 |
| 0.6881299733 | 0.9054192765 | 0.9049294096 | 0.9047061080 | 0.9063129546 | 0.9064899689 | 0.9053475990 | 0.9048826209 | 0.9054192809 |
| 0.6906691983 | 0.9043771991 | 0.9038822198 | 0.9036486993 | 0.9052504012 | 0.9054287739 | 0.9042835546 | 0.9038165632 | 0.9043772034 |
| 0.6932084232 | 0.9033210302 | 0.9028209936 | 0.9025773247 | 0.9041738062 | 0.9043534586 | 0.9032054131 | 0.9027364287 | 0.9033210345 |
| 0.6957476482 | 0.9022510029 | 0.9017459647 | 0.9014922194 | 0.9030834049 | 0.9032642571 | 0.9021134085 | 0.9016424516 | 0.9022510073 |
| 0.6982868732 | 0.9011673473 | 0.9006573640 | 0.9003936156 | 0.9019794293 | 0.9021614003 | 0.9010077716 | 0.9005348629 | 0.9011673516 |
| 0.7008260982 | 0.9000702901 | 0.8995554190 | 0.8992817422 | 0.9008621082 | 0.9010451160 | 0.8998887302 | 0.8994138904 | 0.9000702944 |
| 0.7033653232 | 0.8989600551 | 0.8984403543 | 0.8981568249 | 0.8997316674 | 0.8999156290 | 0.8987565088 | 0.8982797589 | 0.8989600594 |
| 0.7059045482 | 0.8978368631 | 0.8973123911 | 0.8970190865 | 0.8985883296 | 0.8987731608 | 0.8976113290 | 0.8971326900 | 0.8978368674 |
| 0.7084437732 | 0.8967009318 | 0.8961717480 | 0.8958687464 | 0.8974323143 | 0.8976179302 | 0.8964534095 | 0.8959729026 | 0.8967009361 |
| 0.7109829982 | 0.8955524761 | 0.8950186404 | 0.8947060215 | 0.8962638382 | 0.8964501529 | 0.8952829657 | 0.8948006122 | 0.8955524804 |
| 0.7135222232 | 0.8943917079 | 0.8938532809 | 0.8935311253 | 0.8950831151 | 0.8952700418 | 0.8941002105 | 0.8936160318 | 0.8943917121 |
| 0.7160614482 | 0.8932188361 | 0.8926758791 | 0.8923442687 | 0.8938903556 | 0.8940778066 | 0.8929053536 | 0.8924193713 | 0.8932188404 |
| 0.7186006732 | 0.8920340671 | 0.8914866418 | 0.8911456593 | 0.8926857677 | 0.8928736545 | 0.8916986020 | 0.8912108378 | 0.8920340714 |
| 0.7211398982 | 0.8908376043 | 0.8902857729 | 0.8899355024 | 0.8914695564 | 0.8916577898 | 0.8904801600 | 0.8899906355 | 0.8908376086 |
| 0.7236791232 | 0.8896296484 | 0.8890734738 | 0.8887140000 | 0.8902419241 | 0.8904304140 | 0.8892502290 | 0.8887589661 | 0.8896296527 |
| 0.7262183482 | 0.8884103974 | 0.8878499429 | 0.8874813516 | 0.8890030703 | 0.8891917260 | 0.8880090076 | 0.8875160283 | 0.8884104016 |
| 0.7287575732 | 0.8871800466 | 0.8866153760 | 0.8862377540 | 0.8877531919 | 0.8879419219 | 0.8867566921 | 0.8862620184 | 0.8871800508 |
| 0.7312967982 | 0.8859387888 | 0.8853699663 | 0.8849834013 | 0.8864924829 | 0.8866811953 | 0.8854934758 | 0.8849971297 | 0.8859387930 |
| 0.7338360231 | 0.8846868141 | 0.8841139045 | 0.8837184849 | 0.8852211351 | 0.8854097370 | 0.8842195495 | 0.8837215534 | 0.8846868183 |
| 0.7363752481 | 0.8834243101 | 0.8828473784 | 0.8824431935 | 0.8839393373 | 0.8841277356 | 0.8829351016 | 0.8824354777 | 0.8834243143 |
| 0.7389144731 | 0.8821514620 | 0.8815705738 | 0.8811577136 | 0.8826472760 | 0.8828353768 | 0.8816403179 | 0.8811390885 | 0.8821514661 |
| 0.7414536981 | 0.8808684523 | 0.8802836734 | 0.8798622288 | 0.8813451351 | 0.8815328440 | 0.8803353817 | 0.8798325693 | 0.8808684565 |
| 0.7439929231 | 0.8795754613 | 0.8789868581 | 0.8785569205 | 0.8800330962 | 0.8802203184 | 0.8790204739 | 0.8785161010 | 0.8795754655 |
| 0.7465321481 | 0.8782726670 | 0.8776803058 | 0.8772419675 | 0.8787113383 | 0.8788979785 | 0.8776957731 | 0.8771898622 | 0.8782726711 |
| 0.7490713731 | 0.8769602447 | 0.8763641926 | 0.8759175463 | 0.8773800380 | 0.8775660005 | 0.8763614554 | 0.8758540291 | 0.8769602488 |
| 0.7516105981 | 0.8756383677 | 0.8750386918 | 0.8745838310 | 0.8760393698 | 0.8762245585 | 0.8750176947 | 0.8745087756 | 0.8756383719 |
| 0.7541498231 | 0.8743072071 | 0.8737039747 | 0.8732409935 | 0.8746895057 | 0.8748738241 | 0.8736646627 | 0.8731542735 | 0.8743072112 |
| 0.7566890481 | 0.8729669314 | 0.8723602103 | 0.8718892032 | 0.8733306154 | 0.8735139667 | 0.8723025286 | 0.8717906921 | 0.8729669355 |
| 0.7592282731 | 0.8716177072 | 0.8710075654 | 0.8705286275 | 0.8719628666 | 0.8721451537 | 0.8709314598 | 0.8704181987 | 0.8716177113 |
| 0.7617674981 | 0.8702596991 | 0.8696462045 | 0.8691594314 | 0.8705864246 | 0.8707675502 | 0.8695516212 | 0.8690369584 | 0.8702597032 |
| 0.7643067231 | 0.8688930692 | 0.8682762903 | 0.8677817780 | 0.8692014527 | 0.8693813192 | 0.8681631758 | 0.8676471341 | 0.8688930732 |
| 0.7668459481 | 0.8675179777 | 0.8668979830 | 0.8663958280 | 0.8678081120 | 0.8679866216 | 0.8667662845 | 0.8662488867 | 0.8675179818 |
| 0.7693851731 | 0.8661345830 | 0.8655114410 | 0.8650017401 | 0.8664065615 | 0.8665836162 | 0.8653611060 | 0.8648423751 | 0.8661345870 |
| 0.7719243980 | 0.8647430411 | 0.8641168206 | 0.8635996712 | 0.8649969583 | 0.8651724601 | 0.8639477972 | 0.8634277560 | 0.8647430451 |
| 0.7744636230 | 0.8633435062 | 0.8627142762 | 0.8621897757 | 0.8635794574 | 0.8637533081 | 0.8625265129 | 0.8620051844 | 0.8633435102 |
| 0.7770028480 | 0.8619361307 | 0.8613039601 | 0.8607722065 | 0.8621542119 | 0.8623263131 | 0.8610974061 | 0.8605748132 | 0.8619361347 |
| 0.7795420730 | 0.8605210650 | 0.8598860229 | 0.8593471143 | 0.8607213729 | 0.8608916263 | 0.8596606277 | 0.8591367934 | 0.8605210690 |
| 0.7820812980 | 0.8590984576 | 0.8584606132 | 0.8579146480 | 0.8592810897 | 0.8594493970 | 0.8582163270 | 0.8576912742 | 0.8590984616 |
| 0.7846205230 | 0.8576684552 | 0.8570278776 | 0.8564749546 | 0.8578335096 | 0.8579997724 | 0.8567646513 | 0.8562384030 | 0.8576684591 |
| 0.7871597480 | 0.8562312027 | 0.8555879612 | 0.8550281791 | 0.8563787783 | 0.8565428983 | 0.8553057461 | 0.8547783252 | 0.8562312067 |
| 0.7896989730 | 0.8547868434 | 0.8541410072 | 0.8535744651 | 0.8549170395 | 0.8550789184 | 0.8538397552 | 0.8533111846 | 0.8547868473 |
| 0.7922381980 | 0.8533355186 | 0.8526871570 | 0.8521139540 | 0.8534484353 | 0.8536079749 | 0.8523668207 | 0.8518371234 | 0.8533355225 |
| 0.7947774230 | 0.8518773681 | 0.8512265503 | 0.8506467858 | 0.8519731059 | 0.8521302082 | 0.8508870830 | 0.8503562819 | 0.8518773720 |
| 0.7973166480 | 0.8504125300 | 0.8497593251 | 0.8491730985 | 0.8504911899 | 0.8506457570 | 0.8494006807 | 0.8488687987 | 0.8504125339 |
| 0.7998558730 | 0.8489411407 | 0.8482856179 | 0.8476930287 | 0.8490028244 | 0.8491547586 | 0.8479077510 | 0.8473748110 | 0.8489411446 |
| 0.8023950980 | 0.8474633352 | 0.8468055635 | 0.8462067111 | 0.8475081447 | 0.8476573483 | 0.8464084293 | 0.8458744541 | 0.8474633390 |
| 0.8049343230 | 0.8459792466 | 0.8453192951 | 0.8447142791 | 0.8460072844 | 0.8461536603 | 0.8449028495 | 0.8443678621 | 0.8459792504 |
| 0.8074735480 | 0.8444890067 | 0.8438269442 | 0.8432158643 | 0.8445003758 | 0.8446438268 | 0.8433911440 | 0.8428551671 | 0.8444890106 |
| 0.8100127730 | 0.8429927458 | 0.8423286412 | 0.8417115968 | 0.8429875494 | 0.8431279788 | 0.8418734437 | 0.8413365000 | 0.8429927497 |
| 0.8125519979 | 0.8414905926 | 0.8408245144 | 0.8402016051 | 0.8414689345 | 0.8416062457 | 0.8403498780 | 0.8398119903 | 0.8414905964 |
| 0.8150912229 | 0.8399826744 | 0.8393146912 | 0.8386860165 | 0.8399446585 | 0.8400787555 | 0.8388205746 | 0.8382817657 | 0.8399826782 |
| 0.8176304479 | 0.8384691171 | 0.8377992973 | 0.8371649564 | 0.8384148478 | 0.8385456347 | 0.8372856603 | 0.8367459528 | 0.8384691209 |
| 0.8201696729 | 0.8369500452 | 0.8362784569 | 0.8356385491 | 0.8368796271 | 0.8370070084 | 0.8357452600 | 0.8352046765 | 0.8369500490 |
| 0.8227088979 | 0.8354255817 | 0.8347522930 | 0.8341069174 | 0.8353391197 | 0.8354630005 | 0.8341994976 | 0.8336580607 | 0.8354255854 |
| 0.8252481229 | 0.8338958484 | 0.8332209271 | 0.8325701827 | 0.8337934477 | 0.8339137333 | 0.8326484953 | 0.8321062275 | 0.8338958521 |
| 0.8277873479 | 0.8323609657 | 0.8316844794 | 0.8310284651 | 0.8322427316 | 0.8323593280 | 0.8310923743 | 0.8305492982 | 0.8323609694 |
| 0.8303265729 | 0.8308210528 | 0.8301430690 | 0.8294818832 | 0.8306870909 | 0.8307999043 | 0.8295312544 | 0.8289873922 | 0.8308210565 |
| 0.8328657979 | 0.8292762275 | 0.8285968133 | 0.8279305546 | 0.8291266436 | 0.8292355807 | 0.8279652540 | 0.8274206282 | 0.8292762312 |
| 0.8354050229 | 0.8277266064 | 0.8270458288 | 0.8263745953 | 0.8275615064 | 0.8276664746 | 0.8263944903 | 0.8258491233 | 0.8277266101 |
| 0.8379442479 | 0.8261723050 | 0.8254902306 | 0.8248141203 | 0.8259917949 | 0.8260927020 | 0.8248190795 | 0.8242729935 | 0.8261723087 |
| 0.8404834729 | 0.8246134374 | 0.8239301327 | 0.8232492432 | 0.8244176234 | 0.8245143778 | 0.8232391364 | 0.8226923535 | 0.8246134411 |
| 0.8430226979 | 0.8230501167 | 0.8223656477 | 0.8216800765 | 0.8228391050 | 0.8229316156 | 0.8216547746 | 0.8211073170 | 0.8230501203 |
| 0.8455619229 | 0.8214824546 | 0.8207968872 | 0.8201067313 | 0.8212563516 | 0.8213445280 | 0.8200661067 | 0.8195179964 | 0.8214824582 |
| 0.8481011479 | 0.8199105619 | 0.8192239617 | 0.8185293180 | 0.8196694739 | 0.8197532263 | 0.8184732440 | 0.8179245030 | 0.8199105655 |
| 0.8506403728 | 0.8183345482 | 0.8176469804 | 0.8169479453 | 0.8180785817 | 0.8181578209 | 0.8168762967 | 0.8163269469 | 0.8183345518 |
| 0.8531795978 | 0.8167545220 | 0.8160660516 | 0.8153627211 | 0.8164837835 | 0.8165584209 | 0.8152753740 | 0.8147254373 | 0.8167545256 |
| 0.8557188228 | 0.8151705907 | 0.8144812823 | 0.8137737523 | 0.8148851866 | 0.8149551344 | 0.8136705841 | 0.8131200822 | 0.8151705943 |
| 0.8582580478 | 0.8135828608 | 0.8128927785 | 0.8121811443 | 0.8132828976 | 0.8133480684 | 0.8120620339 | 0.8115109886 | 0.8135828644 |
| 0.8607972728 | 0.8119914375 | 0.8113006454 | 0.8105850019 | 0.8116770215 | 0.8117373290 | 0.8104498296 | 0.8098982623 | 0.8119914411 |
| 0.8633364978 | 0.8103964252 | 0.8097049867 | 0.8089854286 | 0.8100676628 | 0.8101230212 | 0.8088340759 | 0.8082820083 | 0.8103964288 |
| 0.8658757228 | 0.8087979272 | 0.8081059056 | 0.8073825269 | 0.8084549247 | 0.8085052490 | 0.8072148771 | 0.8066623305 | 0.8087979307 |
| 0.8684149478 | 0.8071960459 | 0.8065035038 | 0.8057763984 | 0.8068389095 | 0.8068841153 | 0.8055923360 | 0.8050393318 | 0.8071960494 |
| 0.8709541728 | 0.8055908825 | 0.8048978826 | 0.8041671436 | 0.8052197184 | 0.8052597223 | 0.8039665547 | 0.8034131142 | 0.8055908860 |
| 0.8734933978 | 0.8039825376 | 0.8032891418 | 0.8025548621 | 0.8035974518 | 0.8036321710 | 0.8023376344 | 0.8017837787 | 0.8039825411 |
| 0.8760326228 | 0.8023711107 | 0.8016773806 | 0.8009396524 | 0.8019722090 | 0.8020015617 | 0.8007056751 | 0.8001514254 | 0.8023711142 |
| 0.8785718478 | 0.8007567003 | 0.8000626971 | 0.7993216123 | 0.8003440885 | 0.8003679935 | 0.7990707762 | 0.7985161534 | 0.8007567038 |
| 0.8811110728 | 0.7991394041 | 0.7984451886 | 0.7977008386 | 0.7987131877 | 0.7987315649 | 0.7974330361 | 0.7968780610 | 0.7991394075 |
| 0.8836502978 | 0.7975193189 | 0.7968249515 | 0.7960774270 | 0.7970796034 | 0.7970923732 | 0.7957925521 | 0.7952372456 | 0.7975193223 |
| 0.8861895228 | 0.7958965406 | 0.7952020812 | 0.7944514726 | 0.7954434312 | 0.7954505152 | 0.7941494209 | 0.7935938037 | 0.7958965440 |
| 0.8887287478 | 0.7942711642 | 0.7935766725 | 0.7928230694 | 0.7938047661 | 0.7938060864 | 0.7925037382 | 0.7919478309 | 0.7942711676 |
| 0.8912679727 | 0.7926432841 | 0.7919488189 | 0.7911923107 | 0.7921637019 | 0.7921591819 | 0.7908555990 | 0.7902994221 | 0.7926432875 |
| 0.8938071977 | 0.7910129935 | 0.7903186136 | 0.7895592888 | 0.7905203320 | 0.7905098957 | 0.7892050973 | 0.7886486711 | 0.7910129969 |
| 0.8963464227 | 0.7893803850 | 0.7886861485 | 0.7879240953 | 0.7888747485 | 0.7888583209 | 0.7875523263 | 0.7869956712 | 0.7893803884 |
| 0.8988856477 | 0.7877455504 | 0.7870515150 | 0.7862868209 | 0.7872270431 | 0.7872045501 | 0.7858973786 | 0.7853405147 | 0.7877455538 |
| 0.9014248727 | 0.7861085806 | 0.7854148035 | 0.7846475555 | 0.7855773064 | 0.7855486749 | 0.7842403456 | 0.7836832931 | 0.7861085840 |
| 0.9039640977 | 0.7844695659 | 0.7837761038 | 0.7830063881 | 0.7839256284 | 0.7838907862 | 0.7825813184 | 0.7820240972 | 0.7844695692 |
| 0.9065033227 | 0.7828285955 | 0.7821355048 | 0.7813634072 | 0.7822720981 | 0.7822309739 | 0.7809203871 | 0.7803630170 | 0.7828285988 |
| 0.9090425477 | 0.7811857582 | 0.7804930946 | 0.7797187003 | 0.7806168039 | 0.7805693275 | 0.7792576408 | 0.7787001417 | 0.7811857615 |
| 0.9115817727 | 0.7795411419 | 0.7788489606 | 0.7780723540 | 0.7789598335 | 0.7789059355 | 0.7775931683 | 0.7770355598 | 0.7795411452 |
| 0.9141209977 | 0.7778948336 | 0.7772031895 | 0.7764244546 | 0.7773012736 | 0.7772408857 | 0.7759270574 | 0.7753693590 | 0.7778948369 |
| 0.9166602227 | 0.7762469198 | 0.7755558672 | 0.7747750871 | 0.7756412103 | 0.7755742652 | 0.7742593951 | 0.7737016262 | 0.7762469231 |
| 0.9191994477 | 0.7745974862 | 0.7739070789 | 0.7731243363 | 0.7739797291 | 0.7739061604 | 0.7725902679 | 0.7720324479 | 0.7745974895 |
| 0.9217386727 | 0.7729466178 | 0.7722569090 | 0.7714722858 | 0.7723169145 | 0.7722366569 | 0.7709197614 | 0.7703619094 | 0.7729466210 |
| 0.9242778977 | 0.7712943988 | 0.7706054413 | 0.7698190188 | 0.7706528505 | 0.7705658396 | 0.7692479606 | 0.7686900958 | 0.7712944020 |
| 0.9268171227 | 0.7696409128 | 0.7689527589 | 0.7681646178 | 0.7689876203 | 0.7688937929 | 0.7675749498 | 0.7670170910 | 0.7696409160 |
| 0.9293563476 | 0.7679862426 | 0.7672989440 | 0.7665091643 | 0.7673213065 | 0.7672206002 | 0.7659008126 | 0.7653429787 | 0.7679862458 |
| 0.9318955726 | 0.7663304706 | 0.7656440785 | 0.7648527394 | 0.7656539908 | 0.7655463444 | 0.7642256317 | 0.7636678415 | 0.7663304738 |
| 0.9344347976 | 0.7646736782 | 0.7639882433 | 0.7631954234 | 0.7639857545 | 0.7638711078 | 0.7625494896 | 0.7619917616 | 0.7646736813 |
| 0.9369740226 | 0.7630159462 | 0.7623315187 | 0.7615372959 | 0.7623166780 | 0.7621949718 | 0.7608724677 | 0.7603148204 | 0.7630159493 |
| 0.9395132476 | 0.7613573549 | 0.7606739843 | 0.7598784360 | 0.7606468410 | 0.7605180173 | 0.7591946468 | 0.7586370987 | 0.7613573580 |
| 0.9420524726 | 0.7596979838 | 0.7590157193 | 0.7582189220 | 0.7589763229 | 0.7588403246 | 0.7575161073 | 0.7569586766 | 0.7596979870 |
| 0.9445916976 | 0.7580379119 | 0.7573568020 | 0.7565588315 | 0.7573052020 | 0.7571619731 | 0.7558369288 | 0.7552796335 | 0.7580379150 |
| 0.9471309226 | 0.7563772173 | 0.7556973100 | 0.7548982414 | 0.7556335563 | 0.7554830419 | 0.7541571901 | 0.7536000484 | 0.7563772204 |
| 0.9496701476 | 0.7547159777 | 0.7540373205 | 0.7532372283 | 0.7539614628 | 0.7538036091 | 0.7524769696 | 0.7519199993 | 0.7547159808 |
| 0.9522093726 | 0.7530542701 | 0.7523769098 | 0.7515758678 | 0.7522889983 | 0.7521237524 | 0.7507963450 | 0.7502395638 | 0.7530542731 |
| 0.9547485976 | 0.7513921708 | 0.7507161539 | 0.7499142351 | 0.7506162385 | 0.7504435489 | 0.7491153933 | 0.7485588189 | 0.7513921738 |
| 0.9572878226 | 0.7497297556 | 0.7490551279 | 0.7482524045 | 0.7489432590 | 0.7487630749 | 0.7474341909 | 0.7468778408 | 0.7497297586 |
| 0.9598270476 | 0.7480670996 | 0.7473939064 | 0.7465904500 | 0.7472701342 | 0.7470824062 | 0.7457528137 | 0.7451967053 | 0.7480671026 |
| 0.9623662726 | 0.7464042773 | 0.7457325634 | 0.7449284449 | 0.7455969384 | 0.7454016180 | 0.7440713368 | 0.7435154874 | 0.7464042803 |
| 0.9649054976 | 0.7447413627 | 0.7440711721 | 0.7432664616 | 0.7439237450 | 0.7437207848 | 0.7423898349 | 0.7418342615 | 0.7447413656 |
| 0.9674447226 | 0.7430784290 | 0.7424098054 | 0.7416045723 | 0.7422506267 | 0.7420399806 | 0.7407083818 | 0.7401531016 | 0.7430784319 |
| 0.9699839475 | 0.7414155489 | 0.7407485355 | 0.7399428485 | 0.7405776560 | 0.7403592786 | 0.7390270511 | 0.7384720809 | 0.7414155519 |
| 0.9725231725 | 0.7397527946 | 0.7390874338 | 0.7382813608 | 0.7389049044 | 0.7386787518 | 0.7373459154 | 0.7367912720 | 0.7397527976 |
| 0.9750623975 | 0.7380902376 | 0.7374265713 | 0.7366201796 | 0.7372324430 | 0.7369984721 | 0.7356650469 | 0.7351107470 | 0.7380902405 |
| 0.9776016225 | 0.7364279488 | 0.7357660185 | 0.7349593744 | 0.7355603423 | 0.7353185113 | 0.7339845173 | 0.7334305774 | 0.7364279517 |
| 0.9801408475 | 0.7347659985 | 0.7341058451 | 0.7332990144 | 0.7338886721 | 0.7336389402 | 0.7323043976 | 0.7317508340 | 0.7347660014 |
| 0.9826800725 | 0.7331044566 | 0.7324461203 | 0.7316391681 | 0.7322175018 | 0.7319598292 | 0.7306247582 | 0.7300715872 | 0.7331044595 |
| 0.9852192975 | 0.7314433922 | 0.7307869127 | 0.7299799032 | 0.7305469000 | 0.7302812482 | 0.7289456689 | 0.7283929066 | 0.7314433951 |
| 0.9877585225 | 0.7297828739 | 0.7291282905 | 0.7283212872 | 0.7288769348 | 0.7286032663 | 0.7272671990 | 0.7267148615 | 0.7297828768 |
| 0.9902977475 | 0.7281229698 | 0.7274703211 | 0.7266633867 | 0.7272076740 | 0.7269259523 | 0.7255894171 | 0.7250375203 | 0.7281229726 |
| 0.9928369725 | 0.7264637473 | 0.7258130713 | 0.7250062680 | 0.7255391843 | 0.7252493741 | 0.7239123915 | 0.7233609511 | 0.7264637501 |
| 0.9953761975 | 0.7248052733 | 0.7241566076 | 0.7233499966 | 0.7238715322 | 0.7235735994 | 0.7222361895 | 0.7216852212 | 0.7248052761 |
| 0.9979154225 | 0.7231476141 | 0.7225009957 | 0.7216946376 | 0.7222047836 | 0.7218986950 | 0.7205608783 | 0.7200103976 | 0.7231476169 |
| 1.0004546475 | 0.7214908356 | 0.7208463009 | 0.7200402554 | 0.7205390037 | 0.7202247272 | 0.7188865241 | 0.7183365464 | 0.7214908384 |
| 1.0029938725 | 0.7198350029 | 0.7191925877 | 0.7183869140 | 0.7188742573 | 0.7185517619 | 0.7172131929 | 0.7166637333 | 0.7198350056 |
| 1.0055330975 | 0.7181801806 | 0.7175399203 | 0.7167346767 | 0.7172106085 | 0.7168798643 | 0.7155409498 | 0.7149920236 | 0.7181801834 |
| 1.0080723225 | 0.7165264329 | 0.7158883622 | 0.7150836064 | 0.7155481208 | 0.7152090991 | 0.7138698596 | 0.7133214818 | 0.7165264356 |
| 1.0106115474 | 0.7148738232 | 0.7142379763 | 0.7134337651 | 0.7138868573 | 0.7135395304 | 0.7121999865 | 0.7116521719 | 0.7148738259 |
| 1.0131507724 | 0.7132224146 | 0.7125888252 | 0.7117852147 | 0.7122268804 | 0.7118712217 | 0.7105313939 | 0.7099841574 | 0.7132224173 |
| 1.0156899974 | 0.7115722694 | 0.7109409706 | 0.7101380162 | 0.7105682521 | 0.7102042359 | 0.7088641450 | 0.7083175011 | 0.7115722720 |
| 1.0182292224 | 0.7099234494 | 0.7092944739 | 0.7084922303 | 0.7089110337 | 0.7085386356 | 0.7071983021 | 0.7066522654 | 0.7099234521 |
| 1.0207684474 | 0.7082760161 | 0.7076493958 | 0.7068479170 | 0.7072552861 | 0.7068744826 | 0.7055339272 | 0.7049885121 | 0.7082760188 |
| 1.0233076724 | 0.7066300302 | 0.7060057966 | 0.7052051357 | 0.7056010694 | 0.7052118382 | 0.7038710817 | 0.7033263023 | 0.7066300329 |
| 1.0258468974 | 0.7049855518 | 0.7043637359 | 0.7035639454 | 0.7039484433 | 0.7035507631 | 0.7022098263 | 0.7016656969 | 0.7049855545 |
| 1.0283861224 | 0.7033426407 | 0.7027232728 | 0.7019244045 | 0.7022974671 | 0.7018913176 | 0.7005502213 | 0.7000067559 | 0.7033426433 |
| 1.0309253474 | 0.7017013559 | 0.7010844660 | 0.7002865709 | 0.7006481993 | 0.7002335613 | 0.6988923263 | 0.6983495388 | 0.7017013585 |
| 1.0334645724 | 0.7000617560 | 0.6994473735 | 0.6986505018 | 0.6990006980 | 0.6985775534 | 0.6972362005 | 0.6966941046 | 0.7000617586 |
| 1.0360037974 | 0.6984238991 | 0.6978120527 | 0.6970162540 | 0.6973550206 | 0.6969233523 | 0.6955819026 | 0.6950405119 | 0.6984239017 |
| 1.0385430224 | 0.6967878426 | 0.6961785606 | 0.6953838839 | 0.6957112242 | 0.6952710160 | 0.6939294904 | 0.6933888186 | 0.6967878451 |
| 1.0410822474 | 0.6951536434 | 0.6945469535 | 0.6937534469 | 0.6940693652 | 0.6936206021 | 0.6922790216 | 0.6917390820 | 0.6951536459 |
| 1.0436214724 | 0.6935213579 | 0.6929172875 | 0.6921249984 | 0.6924294994 | 0.6919721675 | 0.6906305530 | 0.6900913589 | 0.6935213604 |
| 1.0461606974 | 0.6918910420 | 0.6912896178 | 0.6904985929 | 0.6907916821 | 0.6903257684 | 0.6889841410 | 0.6884457057 | 0.6918910445 |
| 1.0486999223 | 0.6902627510 | 0.6896639991 | 0.6888742844 | 0.6891559683 | 0.6886814607 | 0.6873398416 | 0.6868021779 | 0.6902627535 |
| 1.0512391473 | 0.6886365396 | 0.6880404857 | 0.6872521267 | 0.6875224120 | 0.6870392996 | 0.6856977099 | 0.6851608309 | 0.6886365421 |
| 1.0537783723 | 0.6870124622 | 0.6864191314 | 0.6856321726 | 0.6858910671 | 0.6853993399 | 0.6840578008 | 0.6835217192 | 0.6870124646 |
| 1.0563175973 | 0.6853905722 | 0.6847999894 | 0.6840144746 | 0.6842619867 | 0.6837616358 | 0.6824201684 | 0.6818848970 | 0.6853905747 |
| 1.0588568223 | 0.6837709230 | 0.6831831122 | 0.6823990847 | 0.6826352235 | 0.6821262408 | 0.6807848664 | 0.6802504177 | 0.6837709255 |
| 1.0613960473 | 0.6821535672 | 0.6815685519 | 0.6807860544 | 0.6810108295 | 0.6804932081 | 0.6791519480 | 0.6786183345 | 0.6821535696 |
| 1.0639352723 | 0.6805385567 | 0.6799563602 | 0.6791754344 | 0.6793888563 | 0.6788625902 | 0.6775214657 | 0.6769886997 | 0.6805385591 |
| 1.0664744973 | 0.6789259432 | 0.6783465881 | 0.6775672751 | 0.6777693549 | 0.6772344391 | 0.6758934715 | 0.6753615652 | 0.6789259456 |
| 1.0690137223 | 0.6773157776 | 0.6767392861 | 0.6759616265 | 0.6761523759 | 0.6756088063 | 0.6742680169 | 0.6737369825 | 0.6773157800 |
| 1.0715529473 | 0.6757081104 | 0.6751345041 | 0.6743585377 | 0.6745379692 | 0.6739857426 | 0.6726451530 | 0.6721150024 | 0.6757081128 |
| 1.0740921723 | 0.6741029916 | 0.6735322917 | 0.6727580575 | 0.6729261842 | 0.6723652986 | 0.6710249300 | 0.6704956751 | 0.6741029940 |
| 1.0766313973 | 0.6725004705 | 0.6719326977 | 0.6711602343 | 0.6713170697 | 0.6707475239 | 0.6694073979 | 0.6688790505 | 0.6725004729 |
| 1.0791706223 | 0.6709005960 | 0.6703357705 | 0.6695651156 | 0.6697106743 | 0.6691324679 | 0.6677926060 | 0.6672651777 | 0.6709005984 |
| 1.0817098473 | 0.6693034165 | 0.6687415579 | 0.6679727488 | 0.6681070457 | 0.6675201794 | 0.6661806031 | 0.6656541054 | 0.6693034189 |
| 1.0842490723 | 0.6677089798 | 0.6671501074 | 0.6663831804 | 0.6665062311 | 0.6659107065 | 0.6645714374 | 0.6640458819 | 0.6677089821 |
| 1.0867882973 | 0.6661173331 | 0.6655614657 | 0.6647964567 | 0.6649082775 | 0.6643040971 | 0.6629651567 | 0.6624405546 | 0.6661173354 |
| 1.0893275222 | 0.6645285232 | 0.6639756790 | 0.6632126232 | 0.6633132309 | 0.6627003981 | 0.6613618082 | 0.6608381707 | 0.6645285255 |
| 1.0918667472 | 0.6629425963 | 0.6623927932 | 0.6616317251 | 0.6617211372 | 0.6610996564 | 0.6597614384 | 0.6592387767 | 0.6629425985 |
| 1.0944059722 | 0.6613595980 | 0.6608128534 | 0.6600538070 | 0.6601320414 | 0.6595019178 | 0.6581640936 | 0.6576424186 | 0.6613596003 |
| 1.0969451972 | 0.6597795736 | 0.6592359044 | 0.6584789129 | 0.6585459884 | 0.6579072280 | 0.6565698193 | 0.6560491418 | 0.6597795759 |
| 1.0994844222 | 0.6582025678 | 0.6576619903 | 0.6569070863 | 0.6569630222 | 0.6563156321 | 0.6549786605 | 0.6544589914 | 0.6582025700 |
| 1.1020236472 | 0.6566286244 | 0.6560911549 | 0.6553383704 | 0.6553831864 | 0.6547271744 | 0.6533906617 | 0.6528720117 | 0.6566286267 |
| 1.1045628722 | 0.6550577873 | 0.6545234411 | 0.6537728075 | 0.6538065241 | 0.6531418989 | 0.6518058670 | 0.6512882465 | 0.6550577895 |
| 1.1071020972 | 0.6534900994 | 0.6529588918 | 0.6522104398 | 0.6522330779 | 0.6515598491 | 0.6502243197 | 0.6497077394 | 0.6534901016 |
| 1.1096413222 | 0.6519256034 | 0.6513975489 | 0.6506513087 | 0.6506628898 | 0.6499810678 | 0.6486460629 | 0.6481305330 | 0.6519256055 |
| 1.1121805472 | 0.6503643411 | 0.6498394540 | 0.6490954552 | 0.6490960014 | 0.6484055975 | 0.6470711389 | 0.6465566696 | 0.6503643432 |
| 1.1147197722 | 0.6488063541 | 0.6482846482 | 0.6475429198 | 0.6475324536 | 0.6468334799 | 0.6454995895 | 0.6449861910 | 0.6488063562 |
| 1.1172589972 | 0.6472516834 | 0.6467331721 | 0.6459937423 | 0.6459722871 | 0.6452647565 | 0.6439314561 | 0.6434191385 | 0.6472516855 |
| 1.1197982222 | 0.6457003694 | 0.6451850657 | 0.6444479622 | 0.6444155416 | 0.6436994678 | 0.6423667796 | 0.6418555528 | 0.6457003715 |
| 1.1223374472 | 0.6441524521 | 0.6436403684 | 0.6429056186 | 0.6428622568 | 0.6421376544 | 0.6408056002 | 0.6402954741 | 0.6441524542 |
| 1.1248766722 | 0.6426079709 | 0.6420991195 | 0.6413667497 | 0.6413124715 | 0.6405793558 | 0.6392479577 | 0.6387389419 | 0.6426079730 |
| 1.1274158971 | 0.6410669648 | 0.6405613572 | 0.6398313936 | 0.6397662241 | 0.6390246113 | 0.6376938913 | 0.6371859956 | 0.6410669668 |
| 1.1299551221 | 0.6395294720 | 0.6390271196 | 0.6382995876 | 0.6382235527 | 0.6374734596 | 0.6361434397 | 0.6356366737 | 0.6395294741 |
| 1.1324943471 | 0.6379955306 | 0.6374964443 | 0.6367713687 | 0.6366844946 | 0.6359259389 | 0.6345966413 | 0.6340910143 | 0.6379955327 |
| 1.1350335721 | 0.6364651779 | 0.6359693681 | 0.6352467732 | 0.6351490867 | 0.6343820869 | 0.6330535336 | 0.6325490550 | 0.6364651800 |
| 1.1375727971 | 0.6349384508 | 0.6344459276 | 0.6337258371 | 0.6336173654 | 0.6328419407 | 0.6315141539 | 0.6310108330 | 0.6349384528 |
| 1.1401120221 | 0.6334153855 | 0.6329261587 | 0.6322085958 | 0.6320893666 | 0.6313055369 | 0.6299785387 | 0.6294763847 | 0.6334153876 |
| 1.1426512471 | 0.6318960181 | 0.6314100969 | 0.6306950842 | 0.6305651257 | 0.6297729118 | 0.6284467244 | 0.6279457463 | 0.6318960201 |
| 1.1451904721 | 0.6303803838 | 0.6298977772 | 0.6291853368 | 0.6290446775 | 0.6282441008 | 0.6269187464 | 0.6264189532 | 0.6303803858 |
| 1.1477296971 | 0.6288685175 | 0.6283892340 | 0.6276793874 | 0.6275280566 | 0.6267191392 | 0.6253946400 | 0.6248960406 | 0.6288685194 |
| 1.1502689221 | 0.6273604535 | 0.6268845013 | 0.6261772695 | 0.6260152967 | 0.6251980615 | 0.6238744397 | 0.6233770429 | 0.6273604554 |
| 1.1528081471 | 0.6258562257 | 0.6253836125 | 0.6246790161 | 0.6245064312 | 0.6236809018 | 0.6223581796 | 0.6218619942 | 0.6258562276 |
| 1.1553473721 | 0.6243558674 | 0.6238866007 | 0.6231846595 | 0.6230014930 | 0.6221676937 | 0.6208458935 | 0.6203509279 | 0.6243558693 |
| 1.1578865971 | 0.6228594115 | 0.6223934983 | 0.6216942319 | 0.6215005146 | 0.6206584703 | 0.6193376143 | 0.6188438772 | 0.6228594134 |
| 1.1604258221 | 0.6213668903 | 0.6209043374 | 0.6202077646 | 0.6200035278 | 0.6191532642 | 0.6178333747 | 0.6173408746 | 0.6213668922 |
| 1.1629650471 | 0.6198783358 | 0.6194191494 | 0.6187252887 | 0.6185105641 | 0.6176521075 | 0.6163332068 | 0.6158419520 | 0.6198783377 |
| 1.1655042721 | 0.6183937792 | 0.6179379654 | 0.6172468346 | 0.6170216543 | 0.6161550317 | 0.6148371422 | 0.6143471410 | 0.6183937811 |
| 1.1680434970 | 0.6169132516 | 0.6164608160 | 0.6157724325 | 0.6155368290 | 0.6146620680 | 0.6133452121 | 0.6128564726 | 0.6169132534 |
| 1.1705827220 | 0.6154367832 | 0.6149877311 | 0.6143021119 | 0.6140561180 | 0.6131732469 | 0.6118574470 | 0.6113699773 | 0.6154367850 |
| 1.1731219470 | 0.6139644040 | 0.6135187403 | 0.6128359018 | 0.6125795509 | 0.6116885986 | 0.6103738771 | 0.6098876853 | 0.6139644058 |
| 1.1756611720 | 0.6124961434 | 0.6120538728 | 0.6113738310 | 0.6111071567 | 0.6102081528 | 0.6088945320 | 0.6084096261 | 0.6124961453 |
| 1.1782003970 | 0.6110320305 | 0.6105931572 | 0.6099159275 | 0.6096389638 | 0.6087319384 | 0.6074194409 | 0.6069358286 | 0.6110320323 |
| 1.1807396220 | 0.6095720936 | 0.6091366216 | 0.6084622190 | 0.6081750004 | 0.6072599843 | 0.6059486324 | 0.6054663217 | 0.6095720954 |
| 1.1832788470 | 0.6081163608 | 0.6076842937 | 0.6070127328 | 0.6067152939 | 0.6057923186 | 0.6044821348 | 0.6040011332 | 0.6081163626 |
| 1.1858180720 | 0.6066648596 | 0.6062362007 | 0.6055674955 | 0.6052598716 | 0.6043289689 | 0.6030199757 | 0.6025402910 | 0.6066648614 |
| 1.1883572970 | 0.6052176170 | 0.6047923694 | 0.6041265335 | 0.6038087599 | 0.6028699626 | 0.6015621824 | 0.6010838221 | 0.6052176188 |
| 1.1908965220 | 0.6037746597 | 0.6033528259 | 0.6026898725 | 0.6023619852 | 0.6014153262 | 0.6001087817 | 0.5996317532 | 0.6037746615 |
| 1.1934357470 | 0.6023360137 | 0.6019175963 | 0.6012575380 | 0.6009195730 | 0.5999650862 | 0.5986597998 | 0.5981841105 | 0.6023360155 |
| 1.1959749720 | 0.6009017048 | 0.6004867057 | 0.5998295548 | 0.5994815486 | 0.5985192683 | 0.5972152626 | 0.5967409198 | 0.6009017065 |
| 1.1985141970 | 0.5994717581 | 0.5990601790 | 0.5984059475 | 0.5980479368 | 0.5970778978 | 0.5957751953 | 0.5953022063 | 0.5994717598 |
| 1.2010534220 | 0.5980461983 | 0.5976380408 | 0.5969867400 | 0.5966187619 | 0.5956409996 | 0.5943396229 | 0.5938679949 | 0.5980462000 |
| 1.2035926470 | 0.5966250498 | 0.5962203150 | 0.5955719558 | 0.5951940478 | 0.5942085981 | 0.5929085698 | 0.5924383099 | 0.5966250515 |
| 1.2061318719 | 0.5952083363 | 0.5948070252 | 0.5941616181 | 0.5937738179 | 0.5927807173 | 0.5914820599 | 0.5910131751 | 0.5952083380 |
| 1.2086710969 | 0.5937960812 | 0.5933981943 | 0.5927557496 | 0.5923580951 | 0.5913573806 | 0.5900601167 | 0.5895926141 | 0.5937960829 |
| 1.2112103219 | 0.5923883074 | 0.5919938451 | 0.5913543724 | 0.5909469020 | 0.5899386111 | 0.5886427634 | 0.5881766497 | 0.5923883091 |
| 1.2137495469 | 0.5909850375 | 0.5905939998 | 0.5899575084 | 0.5895402606 | 0.5885244313 | 0.5872300224 | 0.5867653045 | 0.5909850392 |
| 1.2162887719 | 0.5895862934 | 0.5891986801 | 0.5885651790 | 0.5881381926 | 0.5871148634 | 0.5858219159 | 0.5853586006 | 0.5895862951 |
| 1.2188279969 | 0.5881920968 | 0.5878079073 | 0.5871774049 | 0.5867407192 | 0.5857099291 | 0.5844184657 | 0.5839565596 | 0.5881920984 |
| 1.2213672219 | 0.5868024687 | 0.5864217024 | 0.5857942068 | 0.5853478611 | 0.5843096495 | 0.5830196929 | 0.5825592026 | 0.5868024703 |
| 1.2239064469 | 0.5854174300 | 0.5850400857 | 0.5844156048 | 0.5839596386 | 0.5829140456 | 0.5816256184 | 0.5811665505 | 0.5854174316 |
| 1.2264456719 | 0.5840370008 | 0.5836630773 | 0.5830416183 | 0.5825760717 | 0.5815231376 | 0.5802362625 | 0.5797786236 | 0.5840370024 |
| 1.2289848969 | 0.5826612010 | 0.5822906968 | 0.5816722667 | 0.5811971798 | 0.5801369455 | 0.5788516452 | 0.5783954416 | 0.5826612026 |
| 1.2315241219 | 0.5812900501 | 0.5809229634 | 0.5803075688 | 0.5798229819 | 0.5787554888 | 0.5774717859 | 0.5770170241 | 0.5812900517 |
| 1.2340633469 | 0.5799235671 | 0.5795598958 | 0.5789475429 | 0.5784534967 | 0.5773787865 | 0.5760967039 | 0.5756433901 | 0.5799235686 |
| 1.2366025719 | 0.5785617705 | 0.5782015123 | 0.5775922071 | 0.5770887423 | 0.5760068572 | 0.5747264176 | 0.5742745580 | 0.5785617720 |
| 1.2391417969 | 0.5772046785 | 0.5768478309 | 0.5762415788 | 0.5757287366 | 0.5746397193 | 0.5733609453 | 0.5729105462 | 0.5772046800 |
| 1.2416810219 | 0.5758523088 | 0.5754988691 | 0.5748956752 | 0.5743734968 | 0.5732773904 | 0.5720003048 | 0.5715513723 | 0.5758523103 |
| 1.2442202469 | 0.5745046787 | 0.5741546439 | 0.5735545131 | 0.5730230401 | 0.5719198880 | 0.5706445135 | 0.5701970537 | 0.5745046802 |
| 1.2467594718 | 0.5731618053 | 0.5728151721 | 0.5722181088 | 0.5716773828 | 0.5705672289 | 0.5692935883 | 0.5688476073 | 0.5731618067 |
| 1.2492986968 | 0.5718237049 | 0.5714804699 | 0.5708864783 | 0.5703365412 | 0.5692194298 | 0.5679475459 | 0.5675030495 | 0.5718237064 |
| 1.2518379218 | 0.5704903937 | 0.5701505533 | 0.5695596370 | 0.5690005310 | 0.5678765068 | 0.5666064023 | 0.5661633964 | 0.5704903951 |
| 1.2543771468 | 0.5691618874 | 0.5688254376 | 0.5682376002 | 0.5676693675 | 0.5665384755 | 0.5652701733 | 0.5648286638 | 0.5691618888 |
| 1.2569163718 | 0.5678382013 | 0.5675051381 | 0.5669203827 | 0.5663430657 | 0.5652053514 | 0.5639388742 | 0.5634988669 | 0.5678382027 |
| 1.2594555968 | 0.5665193503 | 0.5661896693 | 0.5656079988 | 0.5650216402 | 0.5638771494 | 0.5626125199 | 0.5621740206 | 0.5665193517 |
| 1.2619948218 | 0.5652053490 | 0.5648790457 | 0.5643004624 | 0.5637051051 | 0.5625538839 | 0.5612911251 | 0.5608541394 | 0.5652053504 |
| 1.2645340468 | 0.5638962114 | 0.5635732811 | 0.5629977873 | 0.5623934741 | 0.5612355692 | 0.5599747038 | 0.5595392374 | 0.5638962128 |
| 1.2670732718 | 0.5625919513 | 0.5622723891 | 0.5616999866 | 0.5610867608 | 0.5599222189 | 0.5586632697 | 0.5582293282 | 0.5625919527 |
| 1.2696124968 | 0.5612925821 | 0.5609763828 | 0.5604070732 | 0.5597849780 | 0.5586138465 | 0.5573568364 | 0.5569244252 | 0.5612925834 |
| 1.2721517218 | 0.5599981167 | 0.5596852751 | 0.5591190596 | 0.5584881385 | 0.5573104649 | 0.5560554167 | 0.5556245414 | 0.5599981181 |
| 1.2746909468 | 0.5587085678 | 0.5583990783 | 0.5578359579 | 0.5571962545 | 0.5560120866 | 0.5547590232 | 0.5543296892 | 0.5587085691 |
| 1.2772301718 | 0.5574239475 | 0.5571178044 | 0.5565577798 | 0.5559093379 | 0.5547187240 | 0.5534676681 | 0.5530398809 | 0.5574239489 |
| 1.2797693968 | 0.5561442678 | 0.5558414653 | 0.5552845368 | 0.5546274002 | 0.5534303889 | 0.5521813634 | 0.5517551283 | 0.5561442691 |
| 1.2823086218 | 0.5548695401 | 0.5545700721 | 0.5540162399 | 0.5533504526 | 0.5521470927 | 0.5509001205 | 0.5504754427 | 0.5548695415 |
| 1.2848478468 | 0.5535997756 | 0.5533036358 | 0.5527528997 | 0.5520785059 | 0.5508688465 | 0.5496239504 | 0.5492008353 | 0.5535997769 |
| 1.2873870717 | 0.5523349850 | 0.5520421670 | 0.5514945266 | 0.5508115705 | 0.5495956610 | 0.5483528640 | 0.5479313168 | 0.5523349863 |
| 1.2899262967 | 0.5510751787 | 0.5507856759 | 0.5502411305 | 0.5495496565 | 0.5483275467 | 0.5470868716 | 0.5466668974 | 0.5510751800 |
| 1.2924655217 | 0.5498203669 | 0.5495341725 | 0.5489927210 | 0.5482927736 | 0.5470645136 | 0.5458259832 | 0.5454075872 | 0.5498203681 |
| 1.2950047467 | 0.5485705591 | 0.5482876662 | 0.5477493075 | 0.5470409312 | 0.5458065712 | 0.5445702086 | 0.5441533957 | 0.5485705603 |
| 1.2975439717 | 0.5473257647 | 0.5470461663 | 0.5465108988 | 0.5457941384 | 0.5445537290 | 0.5433195569 | 0.5429043324 | 0.5473257659 |
| 1.3000831967 | 0.5460859927 | 0.5458096816 | 0.5452775035 | 0.5445524038 | 0.5433059959 | 0.5420740372 | 0.5416604060 | 0.5460859940 |
| 1.3026224217 | 0.5448512519 | 0.5445782205 | 0.5440491299 | 0.5433157358 | 0.5420633805 | 0.5408336581 | 0.5404216252 | 0.5448512532 |
| 1.3051616467 | 0.5436215505 | 0.5433517914 | 0.5428257859 | 0.5420841424 | 0.5408258910 | 0.5395984279 | 0.5391879982 | 0.5436215517 |
| 1.3077008717 | 0.5423968965 | 0.5421304019 | 0.5416074792 | 0.5408576313 | 0.5395935354 | 0.5383683545 | 0.5379595328 | 0.5423968977 |
| 1.3102400967 | 0.5411772976 | 0.5409140596 | 0.5403942169 | 0.5396362098 | 0.5383663213 | 0.5371434455 | 0.5367362368 | 0.5411772988 |
| 1.3127793217 | 0.5399627611 | 0.5397027718 | 0.5391860060 | 0.5384198850 | 0.5371442560 | 0.5359237082 | 0.5355181172 | 0.5399627623 |
| 1.3153185467 | 0.5387532939 | 0.5384965451 | 0.5379828532 | 0.5372086635 | 0.5359273463 | 0.5347091495 | 0.5343051810 | 0.5387532951 |
| 1.3178577717 | 0.5375489028 | 0.5372953863 | 0.5367847647 | 0.5360025517 | 0.5347155989 | 0.5334997759 | 0.5330974347 | 0.5375489040 |
| 1.3203969967 | 0.5363495942 | 0.5360993014 | 0.5355917466 | 0.5348015557 | 0.5335090200 | 0.5322955939 | 0.5318948847 | 0.5363495953 |
| 1.3229362217 | 0.5351553739 | 0.5349082964 | 0.5344038045 | 0.5336056813 | 0.5323076157 | 0.5310966093 | 0.5306975368 | 0.5351553751 |
| 1.3254754466 | 0.5339662478 | 0.5337223769 | 0.5332209437 | 0.5324149338 | 0.5311113915 | 0.5299028278 | 0.5295053966 | 0.5339662490 |
| 1.3280146716 | 0.5327822213 | 0.5325415481 | 0.5320431695 | 0.5312293183 | 0.5299203528 | 0.5287142548 | 0.5283184695 | 0.5327822225 |
| 1.3305538966 | 0.5316032995 | 0.5313658151 | 0.5308704864 | 0.5300488398 | 0.5287345046 | 0.5275308952 | 0.5271367604 | 0.5316033006 |
| 1.3330931216 | 0.5304294871 | 0.5301951825 | 0.5297028991 | 0.5288735026 | 0.5275538515 | 0.5263527538 | 0.5259602740 | 0.5304294882 |
| 1.3356323466 | 0.5292607887 | 0.5290296546 | 0.5285404116 | 0.5277033111 | 0.5263783981 | 0.5251798349 | 0.5247890147 | 0.5292607898 |
| 1.3381715716 | 0.5280972084 | 0.5278692355 | 0.5273830278 | 0.5265382690 | 0.5252081484 | 0.5240121427 | 0.5236229866 | 0.5280972095 |
| 1.3407107966 | 0.5269387502 | 0.5267139291 | 0.5262307513 | 0.5253783802 | 0.5240431061 | 0.5228496810 | 0.5224621934 | 0.5269387513 |
| 1.3432500216 | 0.5257854176 | 0.5255637388 | 0.5250835854 | 0.5242236477 | 0.5228832749 | 0.5216924532 | 0.5213066386 | 0.5257854187 |
| 1.3457892466 | 0.5246372139 | 0.5244186677 | 0.5239415332 | 0.5230740748 | 0.5217286578 | 0.5205404626 | 0.5201563254 | 0.5246372150 |
| 1.3483284716 | 0.5234941422 | 0.5232787189 | 0.5228045973 | 0.5219296641 | 0.5205792579 | 0.5193937122 | 0.5190112567 | 0.5234941433 |
| 1.3508676966 | 0.5223562052 | 0.5221438949 | 0.5216727801 | 0.5207904182 | 0.5194350777 | 0.5182522045 | 0.5178714351 | 0.5223562063 |
| 1.3534069216 | 0.5212234054 | 0.5210141982 | 0.5205460840 | 0.5196563392 | 0.5182961196 | 0.5171159419 | 0.5167368629 | 0.5212234064 |
| 1.3559461466 | 0.5200957449 | 0.5198896306 | 0.5194245107 | 0.5185274290 | 0.5171623857 | 0.5159849265 | 0.5156075422 | 0.5200957459 |
| 1.3584853716 | 0.5189732256 | 0.5187701942 | 0.5183080619 | 0.5174036893 | 0.5160338778 | 0.5148591600 | 0.5144834747 | 0.5189732266 |
| 1.3610245966 | 0.5178558492 | 0.5176558903 | 0.5171967390 | 0.5162851214 | 0.5149105973 | 0.5137386441 | 0.5133646620 | 0.5178558502 |
| 1.3635638216 | 0.5167436170 | 0.5165467203 | 0.5160905430 | 0.5151717265 | 0.5137925456 | 0.5126233798 | 0.5122511053 | 0.5167436180 |
| 1.3661030465 | 0.5156365301 | 0.5154426852 | 0.5149894747 | 0.5140635054 | 0.5126797235 | 0.5115133683 | 0.5111428054 | 0.5156365311 |
| 1.3686422715 | 0.5145345893 | 0.5143437856 | 0.5138935349 | 0.5129604586 | 0.5115721318 | 0.5104086102 | 0.5100397632 | 0.5145345903 |
| 1.3711814965 | 0.5134377953 | 0.5132500221 | 0.5128027237 | 0.5118625865 | 0.5104697709 | 0.5093091060 | 0.5089419790 | 0.5134377962 |
| 1.3737207215 | 0.5123461482 | 0.5121613949 | 0.5117170412 | 0.5107698891 | 0.5093726410 | 0.5082148558 | 0.5078494529 | 0.5123461491 |
| 1.3762599465 | 0.5112596481 | 0.5110779039 | 0.5106364873 | 0.5096823662 | 0.5082807421 | 0.5071258595 | 0.5067621850 | 0.5112596490 |
| 1.3787991715 | 0.5101782949 | 0.5099995488 | 0.5095610615 | 0.5086000175 | 0.5071940737 | 0.5060421169 | 0.5056801748 | 0.5101782958 |
| 1.3813383965 | 0.5091020880 | 0.5089263292 | 0.5084907631 | 0.5075228421 | 0.5061126354 | 0.5049636274 | 0.5046034217 | 0.5091020889 |
| 1.3838776215 | 0.5080310268 | 0.5078582442 | 0.5074255912 | 0.5064508391 | 0.5050364262 | 0.5038903901 | 0.5035319249 | 0.5080310277 |
| 1.3864168465 | 0.5069651103 | 0.5067952928 | 0.5063655446 | 0.5053840074 | 0.5039654450 | 0.5028224039 | 0.5024656834 | 0.5069651111 |
| 1.3889560715 | 0.5059043372 | 0.5057374737 | 0.5053106220 | 0.5043223455 | 0.5028996907 | 0.5017596676 | 0.5014046956 | 0.5059043381 |
| 1.3914952965 | 0.5048487063 | 0.5046847854 | 0.5042608216 | 0.5032658517 | 0.5018391615 | 0.5007021795 | 0.5003489601 | 0.5048487072 |
| 1.3940345215 | 0.5037982158 | 0.5036372262 | 0.5032161416 | 0.5022145242 | 0.5007838556 | 0.4996499378 | 0.4992984751 | 0.5037982166 |
| 1.3965737465 | 0.5027528637 | 0.5025947940 | 0.5021765799 | 0.5011683609 | 0.4997337711 | 0.4986029405 | 0.4982532384 | 0.5027528645 |
| 1.3991129715 | 0.5017126479 | 0.5015574868 | 0.5011421342 | 0.5001273592 | 0.4986889056 | 0.4975611854 | 0.4972132478 | 0.5017126488 |
| 1.4016521965 | 0.5006775662 | 0.5005253020 | 0.5001128018 | 0.4990915167 | 0.4976492566 | 0.4965246699 | 0.4961785008 | 0.5006775670 |
| 1.4041914214 | 0.4996476157 | 0.4994982369 | 0.4990885800 | 0.4980608305 | 0.4966148213 | 0.4954933912 | 0.4951489946 | 0.4996476166 |
| 1.4067306464 | 0.4986227939 | 0.4984762887 | 0.4980694659 | 0.4970352976 | 0.4955855969 | 0.4944673465 | 0.4941247262 | 0.4986227947 |
| 1.4092698714 | 0.4976030974 | 0.4974594544 | 0.4970554560 | 0.4960149148 | 0.4945615801 | 0.4934465325 | 0.4931056924 | 0.4976030982 |
| 1.4118090964 | 0.4965885232 | 0.4964477304 | 0.4960465472 | 0.4949996784 | 0.4935427674 | 0.4924309457 | 0.4920918899 | 0.4965885240 |
| 1.4143483214 | 0.4955790677 | 0.4954411133 | 0.4950427355 | 0.4939895849 | 0.4925291553 | 0.4914205827 | 0.4910833148 | 0.4955790685 |
| 1.4168875464 | 0.4945747272 | 0.4944395994 | 0.4940440173 | 0.4929846303 | 0.4915207399 | 0.4904154395 | 0.4900799635 | 0.4945747280 |
| 1.4194267714 | 0.4935754978 | 0.4934431847 | 0.4930503884 | 0.4919848104 | 0.4905175172 | 0.4894155121 | 0.4890818318 | 0.4935754986 |
| 1.4219659964 | 0.4925813754 | 0.4924518649 | 0.4920618445 | 0.4909901210 | 0.4895194827 | 0.4884207961 | 0.4880889155 | 0.4925813761 |
| 1.4245052214 | 0.4915923555 | 0.4914656357 | 0.4910783811 | 0.4900005575 | 0.4885266322 | 0.4874312872 | 0.4871012099 | 0.4915923562 |
| 1.4270444464 | 0.4906084337 | 0.4904844925 | 0.4900999936 | 0.4890161152 | 0.4875389608 | 0.4864469805 | 0.4861187105 | 0.4906084344 |
| 1.4295836714 | 0.4896296053 | 0.4895084305 | 0.4891266770 | 0.4880367890 | 0.4865564636 | 0.4854678713 | 0.4851414124 | 0.4896296060 |
| 1.4321228964 | 0.4886558651 | 0.4885374446 | 0.4881584263 | 0.4870625740 | 0.4855791356 | 0.4844939544 | 0.4841693103 | 0.4886558658 |
| 1.4346621214 | 0.4876872082 | 0.4875715298 | 0.4871952361 | 0.4860934646 | 0.4846069714 | 0.4835252245 | 0.4832023991 | 0.4876872089 |
| 1.4372013464 | 0.4867236291 | 0.4866106806 | 0.4862371010 | 0.4851294553 | 0.4836399655 | 0.4825616761 | 0.4822406731 | 0.4867236298 |
| 1.4397405714 | 0.4857651223 | 0.4856548914 | 0.4852840153 | 0.4841705405 | 0.4826781123 | 0.4816033036 | 0.4812841268 | 0.4857651230 |
| 1.4422797964 | 0.4848116821 | 0.4847041564 | 0.4843359730 | 0.4832167141 | 0.4817214058 | 0.4806501009 | 0.4803327541 | 0.4848116828 |
| 1.4448190213 | 0.4838633025 | 0.4837584697 | 0.4833929683 | 0.4822679701 | 0.4807698399 | 0.4797020621 | 0.4793865490 | 0.4838633031 |
| 1.4473582463 | 0.4829199773 | 0.4828178250 | 0.4824549947 | 0.4813243022 | 0.4798234084 | 0.4787591809 | 0.4784455052 | 0.4829199780 |
| 1.4498974713 | 0.4819817004 | 0.4818822161 | 0.4815220460 | 0.4803857038 | 0.4788821047 | 0.4778214507 | 0.4775096163 | 0.4819817010 |
| 1.4524366963 | 0.4810484651 | 0.4809516364 | 0.4805941153 | 0.4794521682 | 0.4779459223 | 0.4768888650 | 0.4765788755 | 0.4810484657 |
| 1.4549759213 | 0.4801202647 | 0.4800260792 | 0.4796711961 | 0.4785236886 | 0.4770148543 | 0.4759614169 | 0.4756532761 | 0.4801202654 |
| 1.4575151463 | 0.4791970925 | 0.4791055376 | 0.4787532813 | 0.4776002580 | 0.4760888936 | 0.4750390994 | 0.4747328110 | 0.4791970931 |
| 1.4600543713 | 0.4782789414 | 0.4781900045 | 0.4778403636 | 0.4766818691 | 0.4751680330 | 0.4741219053 | 0.4738174730 | 0.4782789420 |
| 1.4625935963 | 0.4773658041 | 0.4772794726 | 0.4769324360 | 0.4757685146 | 0.4742522653 | 0.4732098271 | 0.4729072547 | 0.4773658047 |
| 1.4651328213 | 0.4764576732 | 0.4763739346 | 0.4760294907 | 0.4748601868 | 0.4733415827 | 0.4723028575 | 0.4720021486 | 0.4764576738 |
| 1.4676720463 | 0.4755545412 | 0.4754733827 | 0.4751315201 | 0.4739568779 | 0.4724359776 | 0.4714009885 | 0.4711021469 | 0.4755545418 |
| 1.4702112713 | 0.4746564003 | 0.4745778094 | 0.4742385165 | 0.4730585802 | 0.4715354420 | 0.4705042124 | 0.4702072418 | 0.4746564009 |
| 1.4727504963 | 0.4737632426 | 0.4736872065 | 0.4733504717 | 0.4721652855 | 0.4706399679 | 0.4696125210 | 0.4693174250 | 0.4737632431 |
| 1.4752897213 | 0.4728750599 | 0.4728015660 | 0.4724673777 | 0.4712769855 | 0.4697495470 | 0.4687259061 | 0.4684326885 | 0.4728750605 |
| 1.4778289463 | 0.4719918441 | 0.4719208796 | 0.4715892260 | 0.4703936718 | 0.4688641709 | 0.4678443593 | 0.4675530237 | 0.4719918446 |
| 1.4803681713 | 0.4711135867 | 0.4710451388 | 0.4707160081 | 0.4695153358 | 0.4679838310 | 0.4669678720 | 0.4666784222 | 0.4711135872 |
| 1.4829073962 | 0.4702402790 | 0.4701743351 | 0.4698477155 | 0.4686419687 | 0.4671085186 | 0.4660964355 | 0.4658088750 | 0.4702402796 |
| 1.4854466212 | 0.4693719125 | 0.4693084596 | 0.4689843391 | 0.4677735617 | 0.4662382247 | 0.4652300408 | 0.4649443734 | 0.4693719130 |
| 1.4879858462 | 0.4685084780 | 0.4684475034 | 0.4681258701 | 0.4669101057 | 0.4653729403 | 0.4643686789 | 0.4640849082 | 0.4685084785 |
| 1.4905250712 | 0.4676499666 | 0.4675914575 | 0.4672722993 | 0.4660515915 | 0.4645126560 | 0.4635123405 | 0.4632304703 | 0.4676499671 |
| 1.4930642962 | 0.4667963690 | 0.4667403125 | 0.4664236174 | 0.4651980095 | 0.4636573626 | 0.4626610163 | 0.4623810502 | 0.4667963695 |
| 1.4956035212 | 0.4659476758 | 0.4658940591 | 0.4655798150 | 0.4643493504 | 0.4628070505 | 0.4618146966 | 0.4615366383 | 0.4659476762 |
| 1.4981427462 | 0.4651038774 | 0.4650526877 | 0.4647408823 | 0.4635056044 | 0.4619617099 | 0.4609733719 | 0.4606972250 | 0.4651038779 |
| 1.5006819712 | 0.4642649642 | 0.4642161885 | 0.4639068097 | 0.4626667616 | 0.4611213310 | 0.4601370322 | 0.4598628004 | 0.4642649647 |
| 1.5032211962 | 0.4634309263 | 0.4633845518 | 0.4630775872 | 0.4618328120 | 0.4602859038 | 0.4593056675 | 0.4590333545 | 0.4634309268 |
| 1.5057604212 | 0.4626017537 | 0.4625577674 | 0.4622532048 | 0.4610037455 | 0.4594554180 | 0.4584792677 | 0.4582088772 | 0.4626017541 |
| 1.5082996462 | 0.4617774362 | 0.4617358253 | 0.4614336522 | 0.4601795518 | 0.4586298635 | 0.4576578224 | 0.4573893580 | 0.4617774366 |
| 1.5108388712 | 0.4609579635 | 0.4609187150 | 0.4606189191 | 0.4593602205 | 0.4578092296 | 0.4568413212 | 0.4565747866 | 0.4609579639 |
| 1.5133780962 | 0.4601433251 | 0.4601064261 | 0.4598089950 | 0.4585457408 | 0.4569935059 | 0.4560297535 | 0.4557651524 | 0.4601433255 |
| 1.5159173212 | 0.4593335105 | 0.4592989480 | 0.4590038691 | 0.4577361022 | 0.4561826815 | 0.4552231085 | 0.4549604445 | 0.4593335109 |
| 1.5184565462 | 0.4585285088 | 0.4584962700 | 0.4582035308 | 0.4569312936 | 0.4553767454 | 0.4544213753 | 0.4541606521 | 0.4585285092 |
| 1.5209957712 | 0.4577283093 | 0.4576983811 | 0.4574079691 | 0.4561313041 | 0.4545756868 | 0.4536245428 | 0.4533657641 | 0.4577283097 |
| 1.5235349961 | 0.4569329008 | 0.4569052704 | 0.4566171728 | 0.4553361225 | 0.4537794943 | 0.4528326000 | 0.4525757694 | 0.4569329011 |
| 1.5260742211 | 0.4561422721 | 0.4561169265 | 0.4558311308 | 0.4545457374 | 0.4529881566 | 0.4520455354 | 0.4517906565 | 0.4561422725 |
| 1.5286134461 | 0.4553564121 | 0.4553333382 | 0.4550498318 | 0.4537601375 | 0.4522016623 | 0.4512633375 | 0.4510104142 | 0.4553564124 |
| 1.5311526711 | 0.4545753090 | 0.4545544940 | 0.4542732641 | 0.4529793111 | 0.4514199998 | 0.4504859948 | 0.4502350306 | 0.4545753094 |
| 1.5336918961 | 0.4537989515 | 0.4537803823 | 0.4535014162 | 0.4522032465 | 0.4506431572 | 0.4497134955 | 0.4494644941 | 0.4537989519 |
| 1.5362311211 | 0.4530273278 | 0.4530109915 | 0.4527342763 | 0.4514319319 | 0.4498711226 | 0.4489458278 | 0.4486987928 | 0.4530273281 |
| 1.5387703461 | 0.4522604258 | 0.4522463095 | 0.4519718325 | 0.4506653552 | 0.4491038842 | 0.4481829795 | 0.4479379147 | 0.4522604262 |
| 1.5413095711 | 0.4514982338 | 0.4514863243 | 0.4512140727 | 0.4499035043 | 0.4483414296 | 0.4474249386 | 0.4471818476 | 0.4514982341 |
| 1.5438487961 | 0.4507407395 | 0.4507310240 | 0.4504609848 | 0.4491463670 | 0.4475837466 | 0.4466716927 | 0.4464305792 | 0.4507407398 |
| 1.5463880211 | 0.4499879306 | 0.4499803960 | 0.4497125565 | 0.4483939308 | 0.4468308227 | 0.4459232294 | 0.4456840971 | 0.4499879309 |
| 1.5489272461 | 0.4492397947 | 0.4492344281 | 0.4489687753 | 0.4476461832 | 0.4460826455 | 0.4451795361 | 0.4449423887 | 0.4492397950 |
| 1.5514664711 | 0.4484963193 | 0.4484931078 | 0.4482296287 | 0.4469031115 | 0.4453392021 | 0.4444406003 | 0.4442054414 | 0.4484963195 |
| 1.5540056961 | 0.4477574917 | 0.4477564222 | 0.4474951039 | 0.4461647031 | 0.4446004798 | 0.4437064089 | 0.4434732423 | 0.4477574919 |
| 1.5565449211 | 0.4470232990 | 0.4470243587 | 0.4467651882 | 0.4454309448 | 0.4438664657 | 0.4429769492 | 0.4427457784 | 0.4470232993 |
| 1.5590841461 | 0.4462937285 | 0.4462969042 | 0.4460398685 | 0.4447018238 | 0.4431371465 | 0.4422522079 | 0.4420230368 | 0.4462937287 |
| 1.5616233711 | 0.4455687669 | 0.4455740458 | 0.4453191319 | 0.4439773268 | 0.4424125091 | 0.4415321719 | 0.4413050041 | 0.4455687671 |
| 1.5641625960 | 0.4448484011 | 0.4448557702 | 0.4446029650 | 0.4432574404 | 0.4416925402 | 0.4408168279 | 0.4405916671 | 0.4448484014 |
| 1.5667018210 | 0.4441326178 | 0.4441420642 | 0.4438913546 | 0.4425421514 | 0.4409772263 | 0.4401061624 | 0.4398830122 | 0.4441326181 |
| 1.5692410460 | 0.4434214036 | 0.4434329142 | 0.4431842871 | 0.4418314461 | 0.4402665538 | 0.4394001618 | 0.4391790260 | 0.4434214038 |
| 1.5717802710 | 0.4427147448 | 0.4427283068 | 0.4424817491 | 0.4411253109 | 0.4395605090 | 0.4386988123 | 0.4384796946 | 0.4427147450 |
| 1.5743194960 | 0.4420126278 | 0.4420282281 | 0.4417837267 | 0.4404237319 | 0.4388590780 | 0.4380021002 | 0.4377850043 | 0.4420126280 |
| 1.5768587210 | 0.4413150387 | 0.4413326645 | 0.4410902062 | 0.4397266953 | 0.4381622469 | 0.4373100114 | 0.4370949410 | 0.4413150389 |
| 1.5793979460 | 0.4406219636 | 0.4406416019 | 0.4404011737 | 0.4390341869 | 0.4374700015 | 0.4366225320 | 0.4364094907 | 0.4406219638 |
| 1.5819371710 | 0.4399333884 | 0.4399550264 | 0.4397166149 | 0.4383461927 | 0.4367823278 | 0.4359396476 | 0.4357286393 | 0.4399333886 |
| 1.5844763960 | 0.4392492990 | 0.4392729237 | 0.4390365158 | 0.4376626983 | 0.4360992112 | 0.4352613439 | 0.4350523722 | 0.4392492992 |
| 1.5870156210 | 0.4385696810 | 0.4385952794 | 0.4383608620 | 0.4369836893 | 0.4354206374 | 0.4345876066 | 0.4343806752 | 0.4385696812 |
| 1.5895548460 | 0.4378945200 | 0.4379220793 | 0.4376896390 | 0.4363091511 | 0.4347465918 | 0.4339184209 | 0.4337135336 | 0.4378945201 |
| 1.5920940710 | 0.4372238014 | 0.4372533087 | 0.4370228324 | 0.4356390693 | 0.4340770597 | 0.4332537723 | 0.4330509327 | 0.4372238016 |
| 1.5946332960 | 0.4365575106 | 0.4365889530 | 0.4363604274 | 0.4349734289 | 0.4334120263 | 0.4325936458 | 0.4323928578 | 0.4365575108 |
| 1.5971725210 | 0.4358956328 | 0.4359289974 | 0.4357024092 | 0.4343122151 | 0.4327514766 | 0.4319380266 | 0.4317392938 | 0.4358956329 |
| 1.5997117460 | 0.4352381530 | 0.4352734270 | 0.4350487630 | 0.4336554128 | 0.4320953956 | 0.4312868996 | 0.4310902257 | 0.4352381531 |
| 1.6022509709 | 0.4345850562 | 0.4346222267 | 0.4343994736 | 0.4330030070 | 0.4314437682 | 0.4306402496 | 0.4304456384 | 0.4345850563 |
| 1.6047901959 | 0.4339363273 | 0.4339753814 | 0.4337545259 | 0.4323549824 | 0.4307965789 | 0.4299980614 | 0.4298055166 | 0.4339363274 |
| 1.6073294209 | 0.4332919510 | 0.4333328759 | 0.4331139048 | 0.4317113237 | 0.4301538124 | 0.4293603194 | 0.4291698448 | 0.4332919511 |
| 1.6098686459 | 0.4326519119 | 0.4326946948 | 0.4324775946 | 0.4310720154 | 0.4295154533 | 0.4287270083 | 0.4285386076 | 0.4326519120 |
| 1.6124078709 | 0.4320161945 | 0.4320608225 | 0.4318455801 | 0.4304370418 | 0.4288814857 | 0.4280981123 | 0.4279117892 | 0.4320161946 |
| 1.6149470959 | 0.4313847831 | 0.4314312435 | 0.4312178455 | 0.4298063873 | 0.4282518941 | 0.4274736158 | 0.4272893740 | 0.4313847832 |
| 1.6174863209 | 0.4307576622 | 0.4308059421 | 0.4305943751 | 0.4291800361 | 0.4276266625 | 0.4268535027 | 0.4266713460 | 0.4307576622 |
| 1.6200255459 | 0.4301348157 | 0.4301849023 | 0.4299751531 | 0.4285579723 | 0.4270057748 | 0.4262377571 | 0.4260576893 | 0.4301348157 |
| 1.6225647709 | 0.4295162277 | 0.4295681083 | 0.4293601635 | 0.4279401797 | 0.4263892151 | 0.4256263630 | 0.4254483877 | 0.4295162278 |
| 1.6251039959 | 0.4289018822 | 0.4289555439 | 0.4287493902 | 0.4273266422 | 0.4257769671 | 0.4250193040 | 0.4248434251 | 0.4289018822 |
| 1.6276432209 | 0.4282917629 | 0.4283471931 | 0.4281428171 | 0.4267173436 | 0.4251690145 | 0.4244165639 | 0.4242427851 | 0.4282917629 |
| 1.6301824459 | 0.4276858535 | 0.4277430394 | 0.4275404277 | 0.4261122674 | 0.4245653407 | 0.4238181262 | 0.4236464512 | 0.4276858535 |
| 1.6327216709 | 0.4270841376 | 0.4271430664 | 0.4269422058 | 0.4255113971 | 0.4239659293 | 0.4232239743 | 0.4230544069 | 0.4270841376 |
| 1.6352608959 | 0.4264865986 | 0.4265472577 | 0.4263481347 | 0.4249147162 | 0.4233707636 | 0.4226340915 | 0.4224666355 | 0.4264865986 |
| 1.6378001209 | 0.4258932199 | 0.4259555965 | 0.4257581979 | 0.4243222078 | 0.4227798267 | 0.4220484611 | 0.4218831202 | 0.4258932199 |
| 1.6403393459 | 0.4253039848 | 0.4253680662 | 0.4251723785 | 0.4237338552 | 0.4221931019 | 0.4214670661 | 0.4213038441 | 0.4253039848 |
| 1.6428785708 | 0.4247188763 | 0.4247846498 | 0.4245906596 | 0.4231496414 | 0.4216105720 | 0.4208898896 | 0.4207287902 | 0.4247188762 |
| 1.6454177958 | 0.4241378774 | 0.4242053303 | 0.4240130244 | 0.4225695493 | 0.4210322199 | 0.4203169143 | 0.4201579413 | 0.4241378773 |
| 1.6479570208 | 0.4235609710 | 0.4236300907 | 0.4234394556 | 0.4219935618 | 0.4204580284 | 0.4197481230 | 0.4195912802 | 0.4235609709 |
| 1.6504962458 | 0.4229881399 | 0.4230589138 | 0.4228699361 | 0.4214216615 | 0.4198879802 | 0.4191834984 | 0.4190287895 | 0.4229881398 |
| 1.6530354708 | 0.4224193667 | 0.4224917821 | 0.4223044486 | 0.4208538310 | 0.4193220577 | 0.4186230230 | 0.4184704517 | 0.4224193667 |
| 1.6555746958 | 0.4218546341 | 0.4219286783 | 0.4217429756 | 0.4202900529 | 0.4187602435 | 0.4180666792 | 0.4179162493 | 0.4218546340 |
| 1.6581139208 | 0.4212939244 | 0.4213695849 | 0.4211854995 | 0.4197303095 | 0.4182025197 | 0.4175144493 | 0.4173661646 | 0.4212939243 |
| 1.6606531458 | 0.4207372200 | 0.4208144841 | 0.4206320027 | 0.4191745830 | 0.4176488687 | 0.4169663155 | 0.4168201797 | 0.4207372199 |
| 1.6631923708 | 0.4201845030 | 0.4202633582 | 0.4200824674 | 0.4186228556 | 0.4170992724 | 0.4164222598 | 0.4162782767 | 0.4201845029 |
| 1.6657315958 | 0.4196357556 | 0.4197161893 | 0.4195368758 | 0.4180751094 | 0.4165537129 | 0.4158822643 | 0.4157404376 | 0.4196357555 |
| 1.6682708208 | 0.4190909598 | 0.4191729594 | 0.4189952098 | 0.4175313263 | 0.4160121720 | 0.4153463107 | 0.4152066443 | 0.4190909597 |
| 1.6708100458 | 0.4185500974 | 0.4186336503 | 0.4184574514 | 0.4169914880 | 0.4154746316 | 0.4148143808 | 0.4146768783 | 0.4185500973 |
| 1.6733492708 | 0.4180131503 | 0.4180982440 | 0.4179235822 | 0.4164555763 | 0.4149410731 | 0.4142864563 | 0.4141511215 | 0.4180131502 |
| 1.6758884958 | 0.4174801000 | 0.4175667220 | 0.4173935840 | 0.4159235728 | 0.4144114782 | 0.4137625186 | 0.4136293553 | 0.4174800999 |
| 1.6784277208 | 0.4169509281 | 0.4170390658 | 0.4168674384 | 0.4153954590 | 0.4138858283 | 0.4132425491 | 0.4131115611 | 0.4169509279 |
| 1.6809669457 | 0.4164256160 | 0.4165152570 | 0.4163451267 | 0.4148712163 | 0.4133641046 | 0.4127265292 | 0.4125977201 | 0.4164256158 |
| 1.6835061707 | 0.4159041450 | 0.4159952768 | 0.4158266304 | 0.4143508259 | 0.4128462884 | 0.4122144400 | 0.4120878137 | 0.4159041449 |
| 1.6860453957 | 0.4153864965 | 0.4154791066 | 0.4153119306 | 0.4138342689 | 0.4123323608 | 0.4117062626 | 0.4115818227 | 0.4153864963 |
| 1.6885846207 | 0.4148726513 | 0.4149667273 | 0.4148010084 | 0.4133215264 | 0.4118223028 | 0.4112019780 | 0.4110797283 | 0.4148726512 |
| 1.6911238457 | 0.4143625907 | 0.4144581200 | 0.4142938449 | 0.4128125794 | 0.4113160951 | 0.4107015669 | 0.4105815111 | 0.4143625905 |
| 1.6936630707 | 0.4138562953 | 0.4139532655 | 0.4137904209 | 0.4123074086 | 0.4108137186 | 0.4102050101 | 0.4100871520 | 0.4138562951 |
| 1.6962022957 | 0.4133537460 | 0.4134521447 | 0.4132907173 | 0.4118059948 | 0.4103151538 | 0.4097122882 | 0.4095966316 | 0.4133537458 |
| 1.6987415207 | 0.4128549234 | 0.4129547382 | 0.4127947146 | 0.4113083186 | 0.4098203815 | 0.4092233818 | 0.4091099303 | 0.4128549232 |
| 1.7012807457 | 0.4123598080 | 0.4124610266 | 0.4123023935 | 0.4108143605 | 0.4093293818 | 0.4087382713 | 0.4086270286 | 0.4123598078 |
| 1.7038199707 | 0.4118683804 | 0.4119709902 | 0.4118137343 | 0.4103241008 | 0.4088421352 | 0.4082569368 | 0.4081479067 | 0.4118683802 |
| 1.7063591957 | 0.4113806207 | 0.4114846095 | 0.4113287175 | 0.4098375198 | 0.4083586219 | 0.4077793587 | 0.4076725448 | 0.4113806205 |
| 1.7088984207 | 0.4108965093 | 0.4110018647 | 0.4108473233 | 0.4093545977 | 0.4078788219 | 0.4073055169 | 0.4072009230 | 0.4108965091 |
| 1.7114376457 | 0.4104160262 | 0.4105227357 | 0.4103695317 | 0.4088753145 | 0.4074027153 | 0.4068353914 | 0.4067330213 | 0.4104160260 |
| 1.7139768707 | 0.4099391514 | 0.4100472028 | 0.4098953228 | 0.4083996502 | 0.4069302818 | 0.4063689620 | 0.4062688193 | 0.4099391511 |
| 1.7165160957 | 0.4094658647 | 0.4095752457 | 0.4094246764 | 0.4079275845 | 0.4064615013 | 0.4059062085 | 0.4058082969 | 0.4094658645 |
| 1.7190553207 | 0.4089961460 | 0.4091068442 | 0.4089575724 | 0.4074590973 | 0.4059963533 | 0.4054471105 | 0.4053514337 | 0.4089961457 |
| 1.7215945456 | 0.4085299748 | 0.4086419779 | 0.4084939904 | 0.4069941682 | 0.4055348175 | 0.4049916475 | 0.4048982092 | 0.4085299746 |
| 1.7241337706 | 0.4080673308 | 0.4081806265 | 0.4080339099 | 0.4065327765 | 0.4050768733 | 0.4045397989 | 0.4044486027 | 0.4080673305 |
| 1.7266729956 | 0.4076081933 | 0.4077227694 | 0.4075773105 | 0.4060749018 | 0.4046224999 | 0.4040915439 | 0.4040025935 | 0.4076081930 |
| 1.7292122206 | 0.4071525417 | 0.4072683858 | 0.4071241715 | 0.4056205232 | 0.4041716766 | 0.4036468618 | 0.4035601608 | 0.4071525414 |
| 1.7317514456 | 0.4067003551 | 0.4068174551 | 0.4066744720 | 0.4051696200 | 0.4037243824 | 0.4032057315 | 0.4031212836 | 0.4067003549 |
| 1.7342906706 | 0.4062516128 | 0.4063699563 | 0.4062281912 | 0.4047221713 | 0.4032805964 | 0.4027681320 | 0.4026859409 | 0.4062516125 |
| 1.7368298956 | 0.4058062936 | 0.4059258685 | 0.4057853082 | 0.4042781559 | 0.4028402974 | 0.4023340422 | 0.4022541115 | 0.4058062933 |
| 1.7393691206 | 0.4053643764 | 0.4054851704 | 0.4053458017 | 0.4038375527 | 0.4024034641 | 0.4019034408 | 0.4018257741 | 0.4053643761 |
| 1.7419083456 | 0.4049258400 | 0.4050478409 | 0.4049096506 | 0.4034003404 | 0.4019700753 | 0.4014763064 | 0.4014009073 | 0.4049258397 |
| 1.7444475706 | 0.4044906631 | 0.4046138587 | 0.4044768336 | 0.4029664977 | 0.4015401094 | 0.4010526174 | 0.4009794895 | 0.4044906627 |
| 1.7469867956 | 0.4040588241 | 0.4041832023 | 0.4040473292 | 0.4025360031 | 0.4011135449 | 0.4006323523 | 0.4005614992 | 0.4040588238 |
| 1.7495260206 | 0.4036303016 | 0.4037558502 | 0.4036211159 | 0.4021088349 | 0.4006903601 | 0.4002154893 | 0.4001469147 | 0.4036303013 |
| 1.7520652456 | 0.4032050738 | 0.4033317806 | 0.4031981719 | 0.4016849715 | 0.4002705332 | 0.3998020066 | 0.3997357140 | 0.4032050735 |
| 1.7546044706 | 0.4027831190 | 0.4029109718 | 0.4027784757 | 0.4012643910 | 0.3998540422 | 0.3993918823 | 0.3993278752 | 0.4027831187 |
| 1.7571436956 | 0.4023644153 | 0.4024934019 | 0.4023620051 | 0.4008470714 | 0.3994408653 | 0.3989850942 | 0.3989233762 | 0.4023644149 |
| 1.7596829205 | 0.4019489406 | 0.4020790490 | 0.4019487384 | 0.4004329909 | 0.3990309802 | 0.3985816203 | 0.3985221948 | 0.4019489402 |
| 1.7622221455 | 0.4015366728 | 0.4016678908 | 0.4015386533 | 0.4000221271 | 0.3986243647 | 0.3981814381 | 0.3981243088 | 0.4015366724 |
| 1.7647613705 | 0.4011275897 | 0.4012599053 | 0.4011317277 | 0.3996144579 | 0.3982209965 | 0.3977845254 | 0.3977296958 | 0.4011275893 |
| 1.7673005955 | 0.4007216689 | 0.4008550699 | 0.4007279392 | 0.3992099608 | 0.3978208531 | 0.3973908596 | 0.3973383331 | 0.4007216686 |
| 1.7698398205 | 0.4003188881 | 0.4004533624 | 0.4003272654 | 0.3988086135 | 0.3974239119 | 0.3970004180 | 0.3969501982 | 0.4003188877 |
| 1.7723790455 | 0.3999192246 | 0.4000547601 | 0.3999296838 | 0.3984103932 | 0.3970301503 | 0.3966131780 | 0.3965652683 | 0.3999192242 |
| 1.7749182705 | 0.3995226557 | 0.3996592405 | 0.3995351717 | 0.3980152773 | 0.3966395454 | 0.3962291166 | 0.3961835205 | 0.3995226553 |
| 1.7774574955 | 0.3991291588 | 0.3992667806 | 0.3991437063 | 0.3976232430 | 0.3962520744 | 0.3958482110 | 0.3958049319 | 0.3991291583 |
| 1.7799967205 | 0.3987387108 | 0.3988773577 | 0.3987552647 | 0.3972342673 | 0.3958677143 | 0.3954704381 | 0.3954294794 | 0.3987387103 |
| 1.7825359455 | 0.3983512887 | 0.3984909487 | 0.3983698241 | 0.3968483273 | 0.3954864418 | 0.3950957746 | 0.3950571398 | 0.3983512883 |
| 1.7850751705 | 0.3979668696 | 0.3981075305 | 0.3979873613 | 0.3964653998 | 0.3951082339 | 0.3947241974 | 0.3946878897 | 0.3979668692 |
| 1.7876143955 | 0.3975854301 | 0.3977270800 | 0.3976078530 | 0.3960854615 | 0.3947330671 | 0.3943556829 | 0.3943217058 | 0.3975854296 |
| 1.7901536205 | 0.3972069469 | 0.3973495737 | 0.3972312760 | 0.3957084891 | 0.3943609180 | 0.3939902076 | 0.3939585646 | 0.3972069464 |
| 1.7926928455 | 0.3968313966 | 0.3969749884 | 0.3968576069 | 0.3953344592 | 0.3939917631 | 0.3936277480 | 0.3935984423 | 0.3968313961 |
| 1.7952320705 | 0.3964587555 | 0.3966033003 | 0.3964868221 | 0.3949633481 | 0.3936255786 | 0.3932682803 | 0.3932413152 | 0.3964587551 |
| 1.7977712955 | 0.3960890002 | 0.3962344859 | 0.3961188979 | 0.3945951321 | 0.3932623408 | 0.3929117806 | 0.3928871594 | 0.3960889997 |
| 1.8003105204 | 0.3957221067 | 0.3958685215 | 0.3957538107 | 0.3942297876 | 0.3929020257 | 0.3925582250 | 0.3925359510 | 0.3957221062 |
| 1.8028497454 | 0.3953580513 | 0.3955053831 | 0.3953915366 | 0.3938672905 | 0.3925446095 | 0.3922075894 | 0.3921876659 | 0.3953580508 |
| 1.8053889704 | 0.3949968098 | 0.3951450467 | 0.3950320516 | 0.3935076169 | 0.3921900679 | 0.3918598497 | 0.3918422798 | 0.3949968093 |
| 1.8079281954 | 0.3946383583 | 0.3947874883 | 0.3946753316 | 0.3931507426 | 0.3918383769 | 0.3915149814 | 0.3914997685 | 0.3946383578 |
| 1.8104674204 | 0.3942826725 | 0.3944326837 | 0.3943213524 | 0.3927966435 | 0.3914895119 | 0.3911729603 | 0.3911601075 | 0.3942826720 |
| 1.8130066454 | 0.3939297282 | 0.3940806086 | 0.3939700898 | 0.3924452951 | 0.3911434486 | 0.3908337618 | 0.3908232722 | 0.3939297276 |
| 1.8155458704 | 0.3935795008 | 0.3937312386 | 0.3936215194 | 0.3920966732 | 0.3908001625 | 0.3904973612 | 0.3904892381 | 0.3935795003 |
| 1.8180850954 | 0.3932319659 | 0.3933845491 | 0.3932756166 | 0.3917507530 | 0.3904596289 | 0.3901637339 | 0.3901579804 | 0.3932319653 |
| 1.8206243204 | 0.3928870988 | 0.3930405155 | 0.3929323568 | 0.3914075100 | 0.3901218230 | 0.3898328551 | 0.3898294742 | 0.3928870983 |
| 1.8231635454 | 0.3925448748 | 0.3926991131 | 0.3925917154 | 0.3910669195 | 0.3897867200 | 0.3895046996 | 0.3895036945 | 0.3925448743 |
| 1.8257027704 | 0.3922052691 | 0.3923603171 | 0.3922536674 | 0.3907289565 | 0.3894542949 | 0.3891792426 | 0.3891806163 | 0.3922052685 |
| 1.8282419954 | 0.3918682567 | 0.3920241025 | 0.3919181881 | 0.3903935960 | 0.3891245226 | 0.3888564587 | 0.3888602143 | 0.3918682561 |
| 1.8307812204 | 0.3915338125 | 0.3916904443 | 0.3915852522 | 0.3900608131 | 0.3887973780 | 0.3885363229 | 0.3885424633 | 0.3915338119 |
| 1.8333204454 | 0.3912019114 | 0.3913593173 | 0.3912548347 | 0.3897305824 | 0.3884728356 | 0.3882188095 | 0.3882273378 | 0.3912019108 |
| 1.8358596704 | 0.3908725280 | 0.3910306962 | 0.3909269103 | 0.3894028789 | 0.3881508702 | 0.3879038932 | 0.3879148123 | 0.3908725275 |
| 1.8383988954 | 0.3905456372 | 0.3907045557 | 0.3906014537 | 0.3890776769 | 0.3878314562 | 0.3875915484 | 0.3876048612 | 0.3905456366 |
| 1.8409381203 | 0.3902212132 | 0.3903808703 | 0.3902784394 | 0.3887549511 | 0.3875145680 | 0.3872817493 | 0.3872974587 | 0.3902212127 |
| 1.8434773453 | 0.3898992307 | 0.3900596144 | 0.3899578419 | 0.3884346759 | 0.3872001799 | 0.3869744701 | 0.3869925790 | 0.3898992301 |
| 1.8460165703 | 0.3895796638 | 0.3897407624 | 0.3896396354 | 0.3881168256 | 0.3868882660 | 0.3866696850 | 0.3866901962 | 0.3895796632 |
| 1.8485557953 | 0.3892624868 | 0.3894242885 | 0.3893237943 | 0.3878013742 | 0.3865788005 | 0.3863673678 | 0.3863902841 | 0.3892624862 |
| 1.8510950203 | 0.3889476739 | 0.3891101667 | 0.3890102926 | 0.3874882961 | 0.3862717573 | 0.3860674924 | 0.3860928167 | 0.3889476733 |
| 1.8536342453 | 0.3886351989 | 0.3887983712 | 0.3886991044 | 0.3871775651 | 0.3859671102 | 0.3857700327 | 0.3857977676 | 0.3886351983 |
| 1.8561734703 | 0.3883250359 | 0.3884888758 | 0.3883902035 | 0.3868691551 | 0.3856648331 | 0.3854749622 | 0.3855051105 | 0.3883250352 |
| 1.8587126953 | 0.3880171586 | 0.3881816543 | 0.3880835639 | 0.3865630399 | 0.3853648996 | 0.3851822545 | 0.3852148188 | 0.3880171579 |
| 1.8612519203 | 0.3877115407 | 0.3878766804 | 0.3877791593 | 0.3862591933 | 0.3850672833 | 0.3848918831 | 0.3849268661 | 0.3877115400 |
| 1.8637911453 | 0.3874081558 | 0.3875739278 | 0.3874769632 | 0.3859575888 | 0.3847719576 | 0.3846038213 | 0.3846412256 | 0.3874081552 |
| 1.8663303703 | 0.3871069775 | 0.3872733699 | 0.3871769492 | 0.3856581998 | 0.3844788958 | 0.3843180423 | 0.3843578705 | 0.3871069768 |
| 1.8688695953 | 0.3868079791 | 0.3869749802 | 0.3868790907 | 0.3853609999 | 0.3841880713 | 0.3840345193 | 0.3840767740 | 0.3868079784 |
| 1.8714088203 | 0.3865111339 | 0.3866787320 | 0.3865833610 | 0.3850659622 | 0.3838994571 | 0.3837532253 | 0.3837979090 | 0.3865111332 |
| 1.8739480453 | 0.3862164152 | 0.3863845985 | 0.3862897334 | 0.3847730601 | 0.3836130264 | 0.3834741333 | 0.3835212484 | 0.3862164145 |
| 1.8764872703 | 0.3859237961 | 0.3860925528 | 0.3859981811 | 0.3844822665 | 0.3833287521 | 0.3831972161 | 0.3832467651 | 0.3859237954 |
| 1.8790264952 | 0.3856332495 | 0.3858025679 | 0.3857086769 | 0.3841935545 | 0.3830466071 | 0.3829224464 | 0.3829744317 | 0.3856332488 |
| 1.8815657202 | 0.3853447485 | 0.3855146168 | 0.3854211940 | 0.3839068971 | 0.3827665641 | 0.3826497969 | 0.3827042209 | 0.3853447478 |
| 1.8841049452 | 0.3850582657 | 0.3852286723 | 0.3851357051 | 0.3836222669 | 0.3824885958 | 0.3823792401 | 0.3824361051 | 0.3850582650 |
| 1.8866441702 | 0.3847737741 | 0.3849447071 | 0.3848521830 | 0.3833396368 | 0.3822126747 | 0.3821107485 | 0.3821700568 | 0.3847737734 |
| 1.8891833952 | 0.3844912461 | 0.3846626940 | 0.3845706003 | 0.3830589794 | 0.3819387735 | 0.3818442944 | 0.3819060482 | 0.3844912454 |
| 1.8917226202 | 0.3842106544 | 0.3843826053 | 0.3842909296 | 0.3827802672 | 0.3816668643 | 0.3815798500 | 0.3816440516 | 0.3842106537 |
| 1.8942618452 | 0.3839319714 | 0.3841044136 | 0.3840131434 | 0.3825034726 | 0.3813969196 | 0.3813173876 | 0.3813840391 | 0.3839319706 |
| 1.8968010702 | 0.3836551694 | 0.3838280914 | 0.3837372141 | 0.3822285680 | 0.3811289115 | 0.3810568791 | 0.3811259827 | 0.3836551687 |
| 1.8993402952 | 0.3833802208 | 0.3835536107 | 0.3834631140 | 0.3819555258 | 0.3808628122 | 0.3807982966 | 0.3808698543 | 0.3833802200 |
| 1.9018795202 | 0.3831070977 | 0.3832809439 | 0.3831908152 | 0.3816843179 | 0.3805985936 | 0.3805416119 | 0.3806156258 | 0.3831070969 |
| 1.9044187452 | 0.3828357722 | 0.3830100630 | 0.3829202899 | 0.3814149166 | 0.3803362277 | 0.3802867968 | 0.3803632689 | 0.3828357715 |
| 1.9069579702 | 0.3825662164 | 0.3827409401 | 0.3826515102 | 0.3811472939 | 0.3800756863 | 0.3800338230 | 0.3801127552 | 0.3825662156 |
| 1.9094971952 | 0.3822984021 | 0.3824735471 | 0.3823844479 | 0.3808814216 | 0.3798169412 | 0.3797826620 | 0.3798640564 | 0.3822984013 |
| 1.9120364202 | 0.3820323012 | 0.3822078558 | 0.3821190750 | 0.3806172715 | 0.3795599640 | 0.3795332855 | 0.3796171438 | 0.3820323004 |
| 1.9145756452 | 0.3817678854 | 0.3819438380 | 0.3818553631 | 0.3803548155 | 0.3793047263 | 0.3792856649 | 0.3793719889 | 0.3817678846 |
| 1.9171148702 | 0.3815051265 | 0.3816814653 | 0.3815932841 | 0.3800940252 | 0.3790511997 | 0.3790397713 | 0.3791285629 | 0.3815051257 |
| 1.9196540951 | 0.3812439960 | 0.3814207095 | 0.3813328095 | 0.3798348722 | 0.3787993554 | 0.3787955763 | 0.3788868371 | 0.3812439951 |
| 1.9221933201 | 0.3809844653 | 0.3811615419 | 0.3810739108 | 0.3795773279 | 0.3785491648 | 0.3785530507 | 0.3786467825 | 0.3809844645 |
| 1.9247325451 | 0.3807265060 | 0.3809039340 | 0.3808165595 | 0.3793213639 | 0.3783005993 | 0.3783121659 | 0.3784083703 | 0.3807265052 |
| 1.9272717701 | 0.3804700894 | 0.3806478571 | 0.3805607270 | 0.3790669513 | 0.3780536298 | 0.3780728927 | 0.3781715712 | 0.3804700886 |
| 1.9298109951 | 0.3802151868 | 0.3803932826 | 0.3803063845 | 0.3788140616 | 0.3778082276 | 0.3778352021 | 0.3779363564 | 0.3802151860 |
| 1.9323502201 | 0.3799617693 | 0.3801401817 | 0.3800535034 | 0.3785626658 | 0.3775643636 | 0.3775990650 | 0.3777026964 | 0.3799617685 |
| 1.9348894451 | 0.3797098081 | 0.3798885254 | 0.3798020546 | 0.3783127351 | 0.3773220087 | 0.3773644520 | 0.3774705620 | 0.3797098072 |
| 1.9374286701 | 0.3794592742 | 0.3796382848 | 0.3795520094 | 0.3780642406 | 0.3770811338 | 0.3771313338 | 0.3772399239 | 0.3794592733 |
| 1.9399678951 | 0.3792101386 | 0.3793894309 | 0.3793033386 | 0.3778171531 | 0.3768417097 | 0.3768996811 | 0.3770107525 | 0.3792101377 |
| 1.9425071201 | 0.3789623722 | 0.3791419347 | 0.3790560132 | 0.3775714436 | 0.3766037071 | 0.3766694644 | 0.3767830184 | 0.3789623713 |
| 1.9450463451 | 0.3787159457 | 0.3788957668 | 0.3788100042 | 0.3773270829 | 0.3763670965 | 0.3764406541 | 0.3765566920 | 0.3787159449 |
| 1.9475855701 | 0.3784708301 | 0.3786508982 | 0.3785652821 | 0.3770840418 | 0.3761318486 | 0.3762132206 | 0.3763317436 | 0.3784708292 |
| 1.9501247951 | 0.3782269960 | 0.3784072995 | 0.3783218179 | 0.3768422909 | 0.3758979339 | 0.3759871343 | 0.3761081433 | 0.3782269951 |
| 1.9526640201 | 0.3779844139 | 0.3781649413 | 0.3780795821 | 0.3766018009 | 0.3756653227 | 0.3757623653 | 0.3758858615 | 0.3779844130 |
| 1.9552032451 | 0.3777430545 | 0.3779237942 | 0.3778385453 | 0.3763625423 | 0.3754339854 | 0.3755388838 | 0.3756648682 | 0.3777430536 |
| 1.9577424700 | 0.3775028883 | 0.3776838288 | 0.3775986780 | 0.3761244856 | 0.3752038923 | 0.3753166599 | 0.3754451335 | 0.3775028874 |
| 1.9602816950 | 0.3772638856 | 0.3774450154 | 0.3773599508 | 0.3758876013 | 0.3749750136 | 0.3750956637 | 0.3752266273 | 0.3772638847 |
| 1.9628209200 | 0.3770260170 | 0.3772073245 | 0.3771223340 | 0.3756518597 | 0.3747473195 | 0.3748758650 | 0.3750093196 | 0.3770260161 |
| 1.9653601450 | 0.3767892526 | 0.3769707263 | 0.3768857979 | 0.3754172310 | 0.3745207801 | 0.3746572339 | 0.3747931801 | 0.3767892517 |
| 1.9678993700 | 0.3765535628 | 0.3767351912 | 0.3766503129 | 0.3751836857 | 0.3742953653 | 0.3744397402 | 0.3745781788 | 0.3765535619 |
| 1.9704385950 | 0.3763189178 | 0.3765006893 | 0.3764158492 | 0.3749511938 | 0.3740710453 | 0.3742233536 | 0.3743642852 | 0.3763189168 |
| 1.9729778200 | 0.3760852876 | 0.3762671909 | 0.3761823769 | 0.3747197256 | 0.3738477899 | 0.3740080438 | 0.3741514691 | 0.3760852867 |
| 1.9755170450 | 0.3758526425 | 0.3760346660 | 0.3759498663 | 0.3744892510 | 0.3736255690 | 0.3737937806 | 0.3739397000 | 0.3758526416 |
| 1.9780562700 | 0.3756209525 | 0.3758030846 | 0.3757182873 | 0.3742597402 | 0.3734043523 | 0.3735805335 | 0.3737289476 | 0.3756209515 |
| 1.9805954950 | 0.3753901875 | 0.3755724169 | 0.3754876100 | 0.3740311631 | 0.3731841097 | 0.3733682721 | 0.3735191812 | 0.3753901865 |
| 1.9831347200 | 0.3751603175 | 0.3753426326 | 0.3752578044 | 0.3738034897 | 0.3729648109 | 0.3731569659 | 0.3733103704 | 0.3751603165 |
| 1.9856739450 | 0.3749313124 | 0.3751137019 | 0.3750288405 | 0.3735766899 | 0.3727464256 | 0.3729465843 | 0.3731024846 | 0.3749313114 |
| 1.9882131700 | 0.3747031421 | 0.3748855944 | 0.3748006880 | 0.3733507335 | 0.3725289233 | 0.3727370969 | 0.3728954930 | 0.3747031411 |
| 1.9907523950 | 0.3744757764 | 0.3746582802 | 0.3745733170 | 0.3731255903 | 0.3723122736 | 0.3725284728 | 0.3726893650 | 0.3744757754 |
| 1.9932916200 | 0.3742491850 | 0.3744317288 | 0.3743466971 | 0.3729012301 | 0.3720964461 | 0.3723206814 | 0.3724840698 | 0.3742491840 |
| 1.9958308450 | 0.3740233378 | 0.3742059102 | 0.3741207981 | 0.3726776227 | 0.3718814102 | 0.3721136921 | 0.3722795766 | 0.3740233368 |
| 1.9983700699 | 0.3737982044 | 0.3739807939 | 0.3738955899 | 0.3724547377 | 0.3716671355 | 0.3719074739 | 0.3720758546 | 0.3737982034 |
| 2.0009092949 | 0.3735737545 | 0.3737563498 | 0.3736710420 | 0.3722325448 | 0.3714535912 | 0.3717019962 | 0.3718728729 | 0.3735737535 |
| 2.0034485199 | 0.3733499577 | 0.3735325474 | 0.3734471243 | 0.3720110136 | 0.3712407469 | 0.3714972281 | 0.3716706006 | 0.3733499567 |
| 2.0059877449 | 0.3731267837 | 0.3733093563 | 0.3732238062 | 0.3717901137 | 0.3710285718 | 0.3712931386 | 0.3714690068 | 0.3731267826 |
| 2.0085269699 | 0.3729042019 | 0.3730867462 | 0.3730010574 | 0.3715698147 | 0.3708170352 | 0.3710896969 | 0.3712680604 | 0.3729042009 |
| 2.0110661949 | 0.3726821820 | 0.3728646865 | 0.3727788476 | 0.3713500861 | 0.3706061065 | 0.3708868720 | 0.3710677304 | 0.3726821810 |
| 2.0136054199 | 0.3724606935 | 0.3726431469 | 0.3725571462 | 0.3711308974 | 0.3703957548 | 0.3706846329 | 0.3708679858 | 0.3724606925 |
| 2.0161446449 | 0.3722397059 | 0.3724220969 | 0.3723359229 | 0.3709122182 | 0.3701859495 | 0.3704829486 | 0.3706687955 | 0.3722397048 |
| 2.0186838699 | 0.3720191886 | 0.3722015058 | 0.3721151470 | 0.3706940178 | 0.3699766597 | 0.3702817882 | 0.3704701283 | 0.3720191875 |
| 2.0212230949 | 0.3717991112 | 0.3719813433 | 0.3718947882 | 0.3704762658 | 0.3697678546 | 0.3700811205 | 0.3702719533 | 0.3717991101 |
| 2.0237623199 | 0.3715794430 | 0.3717615788 | 0.3716748160 | 0.3702589316 | 0.3695595033 | 0.3698809144 | 0.3700742392 | 0.3715794419 |
| 2.0263015449 | 0.3713601535 | 0.3715421816 | 0.3714551997 | 0.3700419846 | 0.3693515751 | 0.3696811389 | 0.3698769548 | 0.3713601524 |
| 2.0288407699 | 0.3711412121 | 0.3713231213 | 0.3712359088 | 0.3698253942 | 0.3691440390 | 0.3694817628 | 0.3696800689 | 0.3711412110 |
| 2.0313799949 | 0.3709225883 | 0.3711043672 | 0.3710169129 | 0.3696091298 | 0.3689368642 | 0.3692827550 | 0.3694835504 | 0.3709225872 |
| 2.0339192199 | 0.3707042514 | 0.3708858889 | 0.3707981813 | 0.3693931607 | 0.3687300197 | 0.3690840844 | 0.3692873681 | 0.3707042503 |
| 2.0364584448 | 0.3704861708 | 0.3706676556 | 0.3705796834 | 0.3691774565 | 0.3685234748 | 0.3688857199 | 0.3690914906 | 0.3704861697 |
| 2.0389976698 | 0.3702683160 | 0.3704496368 | 0.3703613888 | 0.3689619864 | 0.3683171984 | 0.3686876301 | 0.3688958869 | 0.3702683149 |
| 2.0415368948 | 0.3700506562 | 0.3702318018 | 0.3701432668 | 0.3687467198 | 0.3681111596 | 0.3684897841 | 0.3687005255 | 0.3700506551 |
| 2.0440761198 | 0.3698331610 | 0.3700141202 | 0.3699252870 | 0.3685316261 | 0.3679053276 | 0.3682921506 | 0.3685053753 | 0.3698331598 |
| 2.0466153448 | 0.3696157996 | 0.3697965613 | 0.3697074186 | 0.3683166748 | 0.3676996715 | 0.3680946984 | 0.3683104051 | 0.3696157985 |
| 2.0491545698 | 0.3693985416 | 0.3695790945 | 0.3694896312 | 0.3681018351 | 0.3674941602 | 0.3678973964 | 0.3681155835 | 0.3693985404 |
| 2.0516937948 | 0.3691813562 | 0.3693616893 | 0.3692718943 | 0.3678870764 | 0.3672887630 | 0.3677002134 | 0.3679208794 | 0.3691813551 |
| 2.0542330198 | 0.3689642130 | 0.3691443150 | 0.3690541773 | 0.3676723683 | 0.3670834489 | 0.3675031183 | 0.3677262614 | 0.3689642118 |
| 2.0567722448 | 0.3687470813 | 0.3689269412 | 0.3688364496 | 0.3674576801 | 0.3668781871 | 0.3673060798 | 0.3675316984 | 0.3687470801 |
| 2.0593114698 | 0.3685299307 | 0.3687095373 | 0.3686186808 | 0.3672429812 | 0.3666729466 | 0.3671090669 | 0.3673371591 | 0.3685299295 |
| 2.0618506948 | 0.3683127305 | 0.3684920728 | 0.3684008405 | 0.3670282411 | 0.3664676967 | 0.3669120484 | 0.3671426124 | 0.3683127293 |
| 2.0643899198 | 0.3680954503 | 0.3682745171 | 0.3681828981 | 0.3668134292 | 0.3662624064 | 0.3667149932 | 0.3669480270 | 0.3680954491 |
| 2.0669291448 | 0.3678780595 | 0.3680568399 | 0.3679648231 | 0.3665985151 | 0.3660570450 | 0.3665178702 | 0.3667533717 | 0.3678780583 |
| 2.0694683698 | 0.3676605278 | 0.3678390106 | 0.3677465853 | 0.3663834683 | 0.3658515816 | 0.3663206483 | 0.3665586154 | 0.3676605266 |
| 2.0720075948 | 0.3674428247 | 0.3676209989 | 0.3675281542 | 0.3661682584 | 0.3656459855 | 0.3661232965 | 0.3663637270 | 0.3674428235 |
| 2.0745468198 | 0.3672249197 | 0.3674027744 | 0.3673094995 | 0.3659528548 | 0.3654402260 | 0.3659257838 | 0.3661686754 | 0.3672249185 |
| 2.0770860447 | 0.3670067825 | 0.3671843066 | 0.3670905908 | 0.3657372272 | 0.3652342723 | 0.3657280791 | 0.3659734294 | 0.3670067813 |
| 2.0796252697 | 0.3667883829 | 0.3669655654 | 0.3668713979 | 0.3655213453 | 0.3650280937 | 0.3655301516 | 0.3657779580 | 0.3667883816 |
| 2.0821644947 | 0.3665696903 | 0.3667465204 | 0.3666518905 | 0.3653051788 | 0.3648216597 | 0.3653319701 | 0.3655822302 | 0.3665696891 |
| 2.0847037197 | 0.3663506747 | 0.3665271413 | 0.3664320384 | 0.3650886973 | 0.3646149395 | 0.3651335040 | 0.3653862151 | 0.3663506735 |
| 2.0872429447 | 0.3661313058 | 0.3663073981 | 0.3662118115 | 0.3648718707 | 0.3644079027 | 0.3649347222 | 0.3651898816 | 0.3661313046 |
| 2.0897821697 | 0.3659115534 | 0.3660872605 | 0.3659911797 | 0.3646546687 | 0.3642005187 | 0.3647355941 | 0.3649931989 | 0.3659115522 |
| 2.0923213947 | 0.3656913875 | 0.3658666984 | 0.3657701129 | 0.3644370613 | 0.3639927570 | 0.3645360888 | 0.3647961362 | 0.3656913862 |
| 2.0948606197 | 0.3654707779 | 0.3656456819 | 0.3655485811 | 0.3642190183 | 0.3637845873 | 0.3643361755 | 0.3645986625 | 0.3654707766 |
| 2.0973998447 | 0.3652496947 | 0.3654241808 | 0.3653265544 | 0.3640005098 | 0.3635759790 | 0.3641358237 | 0.3644007472 | 0.3652496934 |
| 2.0999390697 | 0.3650281078 | 0.3652021654 | 0.3651040028 | 0.3637815057 | 0.3633669020 | 0.3639350027 | 0.3642023596 | 0.3650281066 |
| 2.1024782947 | 0.3648059875 | 0.3649796057 | 0.3648808967 | 0.3635619761 | 0.3631573259 | 0.3637336819 | 0.3640034689 | 0.3648059862 |
| 2.1050175197 | 0.3645833038 | 0.3647564719 | 0.3646572061 | 0.3633418912 | 0.3629472206 | 0.3635318309 | 0.3638040447 | 0.3645833026 |
| 2.1075567447 | 0.3643600271 | 0.3645327343 | 0.3644329014 | 0.3631212212 | 0.3627365558 | 0.3633294192 | 0.3636040563 | 0.3643600258 |
| 2.1100959697 | 0.3641361276 | 0.3643083632 | 0.3642079529 | 0.3628999364 | 0.3625253016 | 0.3631264163 | 0.3634034733 | 0.3641361263 |
| 2.1126351947 | 0.3639115756 | 0.3640833289 | 0.3639823312 | 0.3626780071 | 0.3623134279 | 0.3629227921 | 0.3632022653 | 0.3639115743 |
| 2.1151744197 | 0.3636863417 | 0.3638576021 | 0.3637560067 | 0.3624554038 | 0.3621009048 | 0.3627185162 | 0.3630004020 | 0.3636863404 |
| 2.1177136446 | 0.3634603964 | 0.3636311532 | 0.3635289500 | 0.3622320970 | 0.3618877024 | 0.3625135585 | 0.3627978531 | 0.3634603951 |
| 2.1202528696 | 0.3632337103 | 0.3634039528 | 0.3633011318 | 0.3620080572 | 0.3616737909 | 0.3623078889 | 0.3625945883 | 0.3632337090 |
| 2.1227920946 | 0.3630062540 | 0.3631759718 | 0.3630725229 | 0.3617832551 | 0.3614591407 | 0.3621014773 | 0.3623905777 | 0.3630062527 |
| 2.1253313196 | 0.3627779984 | 0.3629471808 | 0.3628430941 | 0.3615576615 | 0.3612437221 | 0.3618942939 | 0.3621857912 | 0.3627779970 |
| 2.1278705446 | 0.3625489143 | 0.3627175508 | 0.3626128164 | 0.3613312473 | 0.3610275055 | 0.3616863087 | 0.3619801987 | 0.3625489129 |
| 2.1304097696 | 0.3623189726 | 0.3624870527 | 0.3623816607 | 0.3611039833 | 0.3608104616 | 0.3614774920 | 0.3617737706 | 0.3623189712 |
| 2.1329489946 | 0.3620881445 | 0.3622556577 | 0.3621495983 | 0.3608758405 | 0.3605925609 | 0.3612678142 | 0.3615664770 | 0.3620881431 |
| 2.1354882196 | 0.3618564010 | 0.3620233369 | 0.3619166003 | 0.3606467901 | 0.3603737742 | 0.3610572456 | 0.3613582881 | 0.3618563996 |
| 2.1380274446 | 0.3616237134 | 0.3617900615 | 0.3616826380 | 0.3604168034 | 0.3601540723 | 0.3608457568 | 0.3611491746 | 0.3616237120 |
| 2.1405666696 | 0.3613900530 | 0.3615558031 | 0.3614476829 | 0.3601858516 | 0.3599334262 | 0.3606333183 | 0.3609391068 | 0.3613900517 |
| 2.1431058946 | 0.3611553914 | 0.3613205329 | 0.3612117066 | 0.3599539061 | 0.3597118069 | 0.3604199009 | 0.3607280554 | 0.3611553900 |
| 2.1456451196 | 0.3609197000 | 0.3610842227 | 0.3609746806 | 0.3597209385 | 0.3594891856 | 0.3602054755 | 0.3605159911 | 0.3609196987 |
| 2.1481843446 | 0.3606829506 | 0.3608468442 | 0.3607365767 | 0.3594869205 | 0.3592655334 | 0.3599900128 | 0.3603028847 | 0.3606829492 |
| 2.1507235696 | 0.3604451150 | 0.3606083691 | 0.3604973669 | 0.3592518238 | 0.3590408218 | 0.3597734840 | 0.3600887073 | 0.3604451136 |
| 2.1532627946 | 0.3602061649 | 0.3603687694 | 0.3602570230 | 0.3590156203 | 0.3588150222 | 0.3595558603 | 0.3598734298 | 0.3602061635 |
| 2.1558020195 | 0.3599660725 | 0.3601280172 | 0.3600155172 | 0.3587782820 | 0.3585881063 | 0.3593371128 | 0.3596570234 | 0.3599660711 |
| 2.1583412445 | 0.3597248100 | 0.3598860846 | 0.3597728218 | 0.3585397810 | 0.3583600457 | 0.3591172129 | 0.3594394594 | 0.3597248086 |
| 2.1608804695 | 0.3594823495 | 0.3596429440 | 0.3595289091 | 0.3583000895 | 0.3581308123 | 0.3588961323 | 0.3592207092 | 0.3594823481 |
| 2.1634196945 | 0.3592386636 | 0.3593985678 | 0.3592837515 | 0.3580591800 | 0.3579003780 | 0.3586738425 | 0.3590007444 | 0.3592386622 |
| 2.1659589195 | 0.3589937247 | 0.3591529286 | 0.3590373219 | 0.3578170249 | 0.3576687150 | 0.3584503152 | 0.3587795367 | 0.3589937232 |
| 2.1684981445 | 0.3587475055 | 0.3589059991 | 0.3587895928 | 0.3575735969 | 0.3574357955 | 0.3582255224 | 0.3585570577 | 0.3587475040 |
| 2.1710373695 | 0.3584999788 | 0.3586577521 | 0.3585405372 | 0.3573288688 | 0.3572015918 | 0.3579994361 | 0.3583332796 | 0.3584999774 |
| 2.1735765945 | 0.3582511176 | 0.3584081606 | 0.3582901282 | 0.3570828135 | 0.3569660765 | 0.3577720284 | 0.3581081743 | 0.3582511162 |
| 2.1761158195 | 0.3580008950 | 0.3581571978 | 0.3580383389 | 0.3568354040 | 0.3567292221 | 0.3575432718 | 0.3578817140 | 0.3580008936 |
| 2.1786550445 | 0.3577492843 | 0.3579048369 | 0.3577851427 | 0.3565866136 | 0.3564910015 | 0.3573131385 | 0.3576538712 | 0.3577492828 |
| 2.1811942695 | 0.3574962587 | 0.3576510514 | 0.3575305131 | 0.3563364157 | 0.3562513876 | 0.3570816013 | 0.3574246182 | 0.3574962572 |
| 2.1837334945 | 0.3572417919 | 0.3573958148 | 0.3572744237 | 0.3560847836 | 0.3560103536 | 0.3568486329 | 0.3571939279 | 0.3572417904 |
| 2.1862727195 | 0.3569858576 | 0.3571391010 | 0.3570168483 | 0.3558316912 | 0.3557678725 | 0.3566142061 | 0.3569617729 | 0.3569858561 |
| 2.1888119445 | 0.3567284296 | 0.3568808838 | 0.3567577610 | 0.3555771123 | 0.3555239179 | 0.3563782940 | 0.3567281262 | 0.3567284281 |
| 2.1913511695 | 0.3564694819 | 0.3566211372 | 0.3564971357 | 0.3553210208 | 0.3552784633 | 0.3561408699 | 0.3564929610 | 0.3564694804 |
| 2.1938903945 | 0.3562089888 | 0.3563598355 | 0.3562349469 | 0.3550633908 | 0.3550314824 | 0.3559019071 | 0.3562562506 | 0.3562089873 |
| 2.1964296194 | 0.3559469246 | 0.3560969531 | 0.3559711689 | 0.3548041968 | 0.3547829491 | 0.3556613792 | 0.3560179683 | 0.3559469231 |
| 2.1989688444 | 0.3556832638 | 0.3558324646 | 0.3557057764 | 0.3545434132 | 0.3545328375 | 0.3554192598 | 0.3557780878 | 0.3556832623 |
| 2.2015080694 | 0.3554179811 | 0.3555663447 | 0.3554387442 | 0.3542810146 | 0.3542811217 | 0.3551755229 | 0.3555365828 | 0.3554179796 |
| 2.2040472944 | 0.3551510515 | 0.3552985683 | 0.3551700474 | 0.3540169760 | 0.3540277761 | 0.3549301425 | 0.3552934274 | 0.3551510500 |
| 2.2065865194 | 0.3548824498 | 0.3550291105 | 0.3548996610 | 0.3537512723 | 0.3537727754 | 0.3546830928 | 0.3550485957 | 0.3548824483 |
| 2.2091257444 | 0.3546121515 | 0.3547579466 | 0.3546275603 | 0.3534838786 | 0.3535160943 | 0.3544343482 | 0.3548020619 | 0.3546121500 |
| 2.2116649694 | 0.3543401319 | 0.3544850521 | 0.3543537210 | 0.3532147705 | 0.3532577077 | 0.3541838833 | 0.3545538007 | 0.3543401303 |
| 2.2142041944 | 0.3540663666 | 0.3542104026 | 0.3540781188 | 0.3529439235 | 0.3529975907 | 0.3539316730 | 0.3543037865 | 0.3540663650 |
| 2.2167434194 | 0.3537908314 | 0.3539339740 | 0.3538007296 | 0.3526713133 | 0.3527357187 | 0.3536776921 | 0.3540519944 | 0.3537908298 |
| 2.2192826444 | 0.3535135023 | 0.3536557423 | 0.3535215294 | 0.3523969159 | 0.3524720671 | 0.3534219158 | 0.3537983994 | 0.3535135007 |
| 2.2218218694 | 0.3532343555 | 0.3533756838 | 0.3532404946 | 0.3521207074 | 0.3522066117 | 0.3531643195 | 0.3535429767 | 0.3532343539 |
| 2.2243610944 | 0.3529533673 | 0.3530937748 | 0.3529576017 | 0.3518426642 | 0.3519393283 | 0.3529048788 | 0.3532857018 | 0.3529533658 |
| 2.2269003194 | 0.3526705145 | 0.3528099921 | 0.3526728274 | 0.3515627628 | 0.3516701930 | 0.3526435692 | 0.3530265503 | 0.3526705129 |
| 2.2294395444 | 0.3523857737 | 0.3525243124 | 0.3523861486 | 0.3512809801 | 0.3513991821 | 0.3523803669 | 0.3527654981 | 0.3523857721 |
| 2.2319787694 | 0.3520991220 | 0.3522367128 | 0.3520975425 | 0.3509972929 | 0.3511262722 | 0.3521152479 | 0.3525025212 | 0.3520991204 |
| 2.2345179943 | 0.3518105366 | 0.3519471706 | 0.3518069863 | 0.3507116783 | 0.3508514398 | 0.3518481886 | 0.3522375960 | 0.3518105350 |
| 2.2370572193 | 0.3515199948 | 0.3516556632 | 0.3515144576 | 0.3504241139 | 0.3505746620 | 0.3515791656 | 0.3519706988 | 0.3515199932 |
| 2.2395964443 | 0.3512274744 | 0.3513621684 | 0.3512199342 | 0.3501345772 | 0.3502959159 | 0.3513081557 | 0.3517018064 | 0.3512274728 |
| 2.2421356693 | 0.3509329532 | 0.3510666641 | 0.3509233941 | 0.3498430460 | 0.3500151787 | 0.3510351359 | 0.3514308957 | 0.3509329516 |
| 2.2446748943 | 0.3506364092 | 0.3507691283 | 0.3506248154 | 0.3495494984 | 0.3497324281 | 0.3507600833 | 0.3511579438 | 0.3506364076 |
| 2.2472141193 | 0.3503378208 | 0.3504695394 | 0.3503241767 | 0.3492539125 | 0.3494476419 | 0.3504829754 | 0.3508829280 | 0.3503378192 |
| 2.2497533443 | 0.3500371665 | 0.3501678761 | 0.3500214565 | 0.3489562669 | 0.3491607981 | 0.3502037900 | 0.3506058260 | 0.3500371649 |
| 2.2522925693 | 0.3497344251 | 0.3498641171 | 0.3497166337 | 0.3486565403 | 0.3488718749 | 0.3499225048 | 0.3503266155 | 0.3497344235 |
| 2.2548317943 | 0.3494295755 | 0.3495582414 | 0.3494096875 | 0.3483547117 | 0.3485808507 | 0.3496390980 | 0.3500452745 | 0.3494295738 |
| 2.2573710193 | 0.3491225969 | 0.3492502284 | 0.3491005972 | 0.3480507601 | 0.3482877043 | 0.3493535480 | 0.3497617814 | 0.3491225953 |
| 2.2599102443 | 0.3488134689 | 0.3489400575 | 0.3487893424 | 0.3477446651 | 0.3479924146 | 0.3490658334 | 0.3494761145 | 0.3488134672 |
| 2.2624494693 | 0.3485021710 | 0.3486277086 | 0.3484759029 | 0.3474364062 | 0.3476949608 | 0.3487759329 | 0.3491882528 | 0.3485021694 |
| 2.2649886943 | 0.3481886833 | 0.3483131615 | 0.3481602588 | 0.3471259634 | 0.3473953223 | 0.3484838257 | 0.3488981750 | 0.3481886816 |
| 2.2675279193 | 0.3478729859 | 0.3479963966 | 0.3478423904 | 0.3468133168 | 0.3470934788 | 0.3481894910 | 0.3486058605 | 0.3478729842 |
| 2.2700671443 | 0.3475550592 | 0.3476773943 | 0.3475222784 | 0.3464984467 | 0.3467894100 | 0.3478929084 | 0.3483112886 | 0.3475550575 |
| 2.2726063693 | 0.3472348839 | 0.3473561353 | 0.3471999034 | 0.3461813338 | 0.3464830963 | 0.3475940577 | 0.3480144392 | 0.3472348822 |
| 2.2751455942 | 0.3469124410 | 0.3470326007 | 0.3468752466 | 0.3458619590 | 0.3461745179 | 0.3472929190 | 0.3477152922 | 0.3469124393 |
| 2.2776848192 | 0.3465877115 | 0.3467067716 | 0.3465482892 | 0.3455403034 | 0.3458636555 | 0.3469894726 | 0.3474138278 | 0.3465877099 |
| 2.2802240442 | 0.3462606770 | 0.3463786296 | 0.3462190130 | 0.3452163483 | 0.3455504901 | 0.3466836989 | 0.3471100264 | 0.3462606754 |
| 2.2827632692 | 0.3459313192 | 0.3460481564 | 0.3458873996 | 0.3448900754 | 0.3452350027 | 0.3463755790 | 0.3468038688 | 0.3459313175 |
| 2.2853024942 | 0.3455996199 | 0.3457153341 | 0.3455534312 | 0.3445614667 | 0.3449171748 | 0.3460650937 | 0.3464953360 | 0.3455996182 |
| 2.2878417192 | 0.3452655614 | 0.3453801448 | 0.3452170901 | 0.3442305043 | 0.3445969881 | 0.3457522245 | 0.3461844092 | 0.3452655597 |
| 2.2903809442 | 0.3449291261 | 0.3450425712 | 0.3448783591 | 0.3438971705 | 0.3442744245 | 0.3454369530 | 0.3458710700 | 0.3449291244 |
| 2.2929201692 | 0.3445902969 | 0.3447025961 | 0.3445372209 | 0.3435614481 | 0.3439494662 | 0.3451192610 | 0.3455553001 | 0.3445902952 |
| 2.2954593942 | 0.3442490567 | 0.3443602025 | 0.3441936587 | 0.3432233201 | 0.3436220956 | 0.3447991306 | 0.3452370816 | 0.3442490550 |
| 2.2979986192 | 0.3439053888 | 0.3440153737 | 0.3438476560 | 0.3428827697 | 0.3432922956 | 0.3444765443 | 0.3449163967 | 0.3439053871 |
| 2.3005378442 | 0.3435592767 | 0.3436680935 | 0.3434991964 | 0.3425397804 | 0.3429600492 | 0.3441514848 | 0.3445932282 | 0.3435592750 |
| 2.3030770692 | 0.3432107043 | 0.3433183457 | 0.3431482641 | 0.3421943359 | 0.3426253396 | 0.3438239350 | 0.3442675588 | 0.3432107026 |
| 2.3056162942 | 0.3428596557 | 0.3429661144 | 0.3427948431 | 0.3418464203 | 0.3422881503 | 0.3434938782 | 0.3439393717 | 0.3428596540 |
| 2.3081555192 | 0.3425061153 | 0.3426113842 | 0.3424389181 | 0.3414960180 | 0.3419484653 | 0.3431612978 | 0.3436086504 | 0.3425061136 |
| 2.3106947442 | 0.3421500677 | 0.3422541397 | 0.3420804739 | 0.3411431136 | 0.3416062687 | 0.3428261776 | 0.3432753785 | 0.3421500660 |
| 2.3132339691 | 0.3417914979 | 0.3418943660 | 0.3417194956 | 0.3407876919 | 0.3412615448 | 0.3424885018 | 0.3429395401 | 0.3417914962 |
| 2.3157731941 | 0.3414303911 | 0.3415320484 | 0.3413559686 | 0.3404297382 | 0.3409142784 | 0.3421482547 | 0.3426011194 | 0.3414303894 |
| 2.3183124191 | 0.3410667329 | 0.3411671725 | 0.3409898785 | 0.3400692379 | 0.3405644544 | 0.3418054210 | 0.3422601010 | 0.3410667312 |
| 2.3208516441 | 0.3407005090 | 0.3407997241 | 0.3406212114 | 0.3397061767 | 0.3402120581 | 0.3414599855 | 0.3419164698 | 0.3407005073 |
| 2.3233908691 | 0.3403317056 | 0.3404296894 | 0.3402499535 | 0.3393405407 | 0.3398570750 | 0.3411119336 | 0.3415702108 | 0.3403317038 |
| 2.3259300941 | 0.3399603090 | 0.3400570550 | 0.3398760914 | 0.3389723163 | 0.3394994911 | 0.3407612507 | 0.3412213096 | 0.3399603072 |
| 2.3284693191 | 0.3395863059 | 0.3396818075 | 0.3394996118 | 0.3386014900 | 0.3391392923 | 0.3404079226 | 0.3408697519 | 0.3395863042 |
| 2.3310085441 | 0.3392096834 | 0.3393039340 | 0.3391205020 | 0.3382280489 | 0.3387764653 | 0.3400519355 | 0.3405155237 | 0.3392096816 |
| 2.3335477691 | 0.3388304285 | 0.3389234218 | 0.3387387495 | 0.3378519800 | 0.3384109966 | 0.3396932759 | 0.3401586113 | 0.3388304268 |
| 2.3360869941 | 0.3384485291 | 0.3385402586 | 0.3383543418 | 0.3374732710 | 0.3380428733 | 0.3393319303 | 0.3397990015 | 0.3384485273 |
| 2.3386262191 | 0.3380639729 | 0.3381544324 | 0.3379672671 | 0.3370919096 | 0.3376720828 | 0.3389678858 | 0.3394366810 | 0.3380639711 |
| 2.3411654441 | 0.3376767480 | 0.3377659314 | 0.3375775138 | 0.3367078839 | 0.3372986127 | 0.3386011297 | 0.3390716373 | 0.3376767462 |
| 2.3437046691 | 0.3372868431 | 0.3373747441 | 0.3371850704 | 0.3363211824 | 0.3369224508 | 0.3382316497 | 0.3387038577 | 0.3372868413 |
| 2.3462438941 | 0.3368942468 | 0.3369808595 | 0.3367899260 | 0.3359317939 | 0.3365435855 | 0.3378594337 | 0.3383333301 | 0.3368942450 |
| 2.3487831191 | 0.3364989482 | 0.3365842666 | 0.3363920698 | 0.3355397072 | 0.3361620053 | 0.3374844699 | 0.3379600428 | 0.3364989464 |
| 2.3513223441 | 0.3361009368 | 0.3361849550 | 0.3359914913 | 0.3351449119 | 0.3357776990 | 0.3371067468 | 0.3375839842 | 0.3361009349 |
| 2.3538615690 | 0.3357002022 | 0.3357829144 | 0.3355881804 | 0.3347473974 | 0.3353906558 | 0.3367262534 | 0.3372051430 | 0.3357002003 |
| 2.3564007940 | 0.3352967344 | 0.3353781349 | 0.3351821274 | 0.3343471538 | 0.3350008651 | 0.3363429787 | 0.3368235084 | 0.3352967326 |
| 2.3589400190 | 0.3348905238 | 0.3349706070 | 0.3347733227 | 0.3339441713 | 0.3346083168 | 0.3359569122 | 0.3364390697 | 0.3348905220 |
| 2.3614792440 | 0.3344815610 | 0.3345603212 | 0.3343617571 | 0.3335384405 | 0.3342130008 | 0.3355680438 | 0.3360518168 | 0.3344815592 |
| 2.3640184690 | 0.3340698370 | 0.3341472688 | 0.3339474218 | 0.3331299523 | 0.3338149077 | 0.3351763636 | 0.3356617395 | 0.3340698352 |
| 2.3665576940 | 0.3336553430 | 0.3337314409 | 0.3335303082 | 0.3327186979 | 0.3334140281 | 0.3347818619 | 0.3352688283 | 0.3336553412 |
| 2.3690969190 | 0.3332380706 | 0.3333128293 | 0.3331104080 | 0.3323046688 | 0.3330103531 | 0.3343845295 | 0.3348730738 | 0.3332380687 |
| 2.3716361440 | 0.3328180116 | 0.3328914260 | 0.3326877134 | 0.3318878568 | 0.3326038739 | 0.3339843574 | 0.3344744670 | 0.3328180098 |
| 2.3741753690 | 0.3323951583 | 0.3324672232 | 0.3322622167 | 0.3314682541 | 0.3321945824 | 0.3335813371 | 0.3340729993 | 0.3323951565 |
| 2.3767145940 | 0.3319695033 | 0.3320402135 | 0.3318339106 | 0.3310458531 | 0.3317824704 | 0.3331754603 | 0.3336686622 | 0.3319695014 |
| 2.3792538190 | 0.3315410393 | 0.3316103899 | 0.3314027882 | 0.3306206466 | 0.3313675303 | 0.3327667189 | 0.3332614478 | 0.3315410374 |
| 2.3817930440 | 0.3311097595 | 0.3311777456 | 0.3309688427 | 0.3301926277 | 0.3309497546 | 0.3323551053 | 0.3328513483 | 0.3311097576 |
| 2.3843322690 | 0.3306756574 | 0.3307422741 | 0.3305320680 | 0.3297617899 | 0.3305291364 | 0.3319406122 | 0.3324383562 | 0.3306756555 |
| 2.3868714940 | 0.3302387268 | 0.3303039695 | 0.3300924579 | 0.3293281269 | 0.3301056689 | 0.3315232326 | 0.3320224646 | 0.3302387250 |
| 2.3894107190 | 0.3297989619 | 0.3298628258 | 0.3296500068 | 0.3288916327 | 0.3296793457 | 0.3311029597 | 0.3316036667 | 0.3297989600 |
| 2.3919499440 | 0.3293563570 | 0.3294188377 | 0.3292047093 | 0.3284523018 | 0.3292501607 | 0.3306797872 | 0.3311819560 | 0.3293563552 |
| 2.3944891689 | 0.3289109070 | 0.3289719999 | 0.3287565603 | 0.3280101288 | 0.3288181082 | 0.3302537092 | 0.3307573265 | 0.3289109052 |
| 2.3970283939 | 0.3284626070 | 0.3285223078 | 0.3283055553 | 0.3275651088 | 0.3283831826 | 0.3298247198 | 0.3303297724 | 0.3284626051 |
| 2.3995676189 | 0.3280114523 | 0.3280697566 | 0.3278516897 | 0.3271172371 | 0.3279453789 | 0.3293928137 | 0.3298992883 | 0.3280114505 |
| 2.4021068439 | 0.3275574388 | 0.3276143424 | 0.3273949595 | 0.3266665094 | 0.3275046923 | 0.3289579859 | 0.3294658690 | 0.3275574369 |
| 2.4046460689 | 0.3271005624 | 0.3271560613 | 0.3269353609 | 0.3262129217 | 0.3270611184 | 0.3285202316 | 0.3290295098 | 0.3271005606 |
| 2.4071852939 | 0.3266408197 | 0.3266949097 | 0.3264728906 | 0.3257564704 | 0.3266146530 | 0.3280795464 | 0.3285902062 | 0.3266408178 |
| 2.4097245189 | 0.3261782072 | 0.3262308844 | 0.3260075455 | 0.3252971521 | 0.3261652922 | 0.3276359263 | 0.3281479541 | 0.3261782053 |
| 2.4122637439 | 0.3257127221 | 0.3257639826 | 0.3255393228 | 0.3248349637 | 0.3257130327 | 0.3271893676 | 0.3277027498 | 0.3257127202 |
| 2.4148029689 | 0.3252443617 | 0.3252942018 | 0.3250682200 | 0.3243699027 | 0.3252578712 | 0.3267398668 | 0.3272545897 | 0.3252443598 |
| 2.4173421939 | 0.3247731237 | 0.3248215397 | 0.3245942350 | 0.3239019665 | 0.3247998050 | 0.3262874208 | 0.3268034707 | 0.3247731218 |
| 2.4198814189 | 0.3242990061 | 0.3243459945 | 0.3241173661 | 0.3234311532 | 0.3243388315 | 0.3258320270 | 0.3263493900 | 0.3242990042 |
| 2.4224206439 | 0.3238220073 | 0.3238675645 | 0.3236376119 | 0.3229574611 | 0.3238749485 | 0.3253736829 | 0.3258923453 | 0.3238220054 |
| 2.4249598689 | 0.3233421260 | 0.3233862486 | 0.3231549711 | 0.3224808887 | 0.3234081543 | 0.3249123864 | 0.3254323343 | 0.3233421241 |
| 2.4274990939 | 0.3228593612 | 0.3229020459 | 0.3226694430 | 0.3220014350 | 0.3229384473 | 0.3244481359 | 0.3249693552 | 0.3228593593 |
| 2.4300383189 | 0.3223737121 | 0.3224149557 | 0.3221810270 | 0.3215190993 | 0.3224658263 | 0.3239809297 | 0.3245034066 | 0.3223737102 |
| 2.4325775438 | 0.3218851785 | 0.3219249778 | 0.3216897232 | 0.3210338811 | 0.3219902904 | 0.3235107669 | 0.3240344873 | 0.3218851766 |
| 2.4351167688 | 0.3213937604 | 0.3214321123 | 0.3211955315 | 0.3205457804 | 0.3215118392 | 0.3230376468 | 0.3235625966 | 0.3213937584 |
| 2.4376559938 | 0.3208994579 | 0.3209363596 | 0.3206984526 | 0.3200547974 | 0.3210304724 | 0.3225615688 | 0.3230877339 | 0.3208994560 |
| 2.4401952188 | 0.3204022719 | 0.3204377204 | 0.3201984872 | 0.3195609326 | 0.3205461902 | 0.3220825329 | 0.3226098992 | 0.3204022699 |
| 2.4427344438 | 0.3199022031 | 0.3199361958 | 0.3196956366 | 0.3190641870 | 0.3200589929 | 0.3216005394 | 0.3221290925 | 0.3199022012 |
| 2.4452736688 | 0.3193992530 | 0.3194317871 | 0.3191899021 | 0.3185645617 | 0.3195688815 | 0.3211155887 | 0.3216453145 | 0.3193992511 |
| 2.4478128938 | 0.3188934231 | 0.3189244960 | 0.3186812856 | 0.3180620583 | 0.3190758569 | 0.3206276818 | 0.3211585660 | 0.3188934212 |
| 2.4503521188 | 0.3183847153 | 0.3184143246 | 0.3181697893 | 0.3175566787 | 0.3185799206 | 0.3201368199 | 0.3206688481 | 0.3183847134 |
| 2.4528913438 | 0.3178731320 | 0.3179012752 | 0.3176554155 | 0.3170484251 | 0.3180810745 | 0.3196430046 | 0.3201761624 | 0.3178731300 |
| 2.4554305688 | 0.3173586756 | 0.3173853505 | 0.3171381670 | 0.3165372999 | 0.3175793204 | 0.3191462377 | 0.3196805107 | 0.3173586736 |
| 2.4579697938 | 0.3168413491 | 0.3168665535 | 0.3166180470 | 0.3160233059 | 0.3170746610 | 0.3186465214 | 0.3191818952 | 0.3168413471 |
| 2.4605090188 | 0.3163211556 | 0.3163448874 | 0.3160950589 | 0.3155064464 | 0.3165670988 | 0.3181438583 | 0.3186803184 | 0.3163211537 |
| 2.4630482438 | 0.3157980989 | 0.3158203560 | 0.3155692064 | 0.3149867248 | 0.3160566370 | 0.3176382512 | 0.3181757831 | 0.3157980969 |
| 2.4655874688 | 0.3152721826 | 0.3152929631 | 0.3150404935 | 0.3144641450 | 0.3155432790 | 0.3171297034 | 0.3176682925 | 0.3152721807 |
| 2.4681266938 | 0.3147434110 | 0.3147627132 | 0.3145089247 | 0.3139387109 | 0.3150270283 | 0.3166182183 | 0.3171578499 | 0.3147434091 |
| 2.4706659188 | 0.3142117887 | 0.3142296106 | 0.3139745047 | 0.3134104271 | 0.3145078891 | 0.3161037997 | 0.3166444594 | 0.3142117867 |
| 2.4732051437 | 0.3136773203 | 0.3136936605 | 0.3134372384 | 0.3128792982 | 0.3139858657 | 0.3155864519 | 0.3161281249 | 0.3136773183 |
| 2.4757443687 | 0.3131400111 | 0.3131548680 | 0.3128971312 | 0.3123453294 | 0.3134609628 | 0.3150661793 | 0.3156088510 | 0.3131400091 |
| 2.4782835937 | 0.3125998664 | 0.3126132386 | 0.3123541888 | 0.3118085261 | 0.3129331853 | 0.3145429868 | 0.3150866423 | 0.3125998645 |
| 2.4808228187 | 0.3120568922 | 0.3120687782 | 0.3118084171 | 0.3112688939 | 0.3124025386 | 0.3140168794 | 0.3145615041 | 0.3120568902 |
| 2.4833620437 | 0.3115110944 | 0.3115214931 | 0.3112598224 | 0.3107264389 | 0.3118690282 | 0.3134878626 | 0.3140334417 | 0.3115110924 |
| 2.4859012687 | 0.3109624795 | 0.3109713896 | 0.3107084113 | 0.3101811673 | 0.3113326601 | 0.3129559422 | 0.3135024609 | 0.3109624775 |
| 2.4884404937 | 0.3104110541 | 0.3104184746 | 0.3101541907 | 0.3096330858 | 0.3107934406 | 0.3124211243 | 0.3129685677 | 0.3104110521 |
| 2.4909797187 | 0.3098568253 | 0.3098627553 | 0.3095971679 | 0.3090822014 | 0.3102513761 | 0.3118834152 | 0.3124317685 | 0.3098568233 |
| 2.4935189437 | 0.3092998004 | 0.3093042389 | 0.3090373503 | 0.3085285213 | 0.3097064737 | 0.3113428217 | 0.3118920700 | 0.3092997984 |
| 2.4960581687 | 0.3087399871 | 0.3087429334 | 0.3084747457 | 0.3079720531 | 0.3091587404 | 0.3107993508 | 0.3113494793 | 0.3087399851 |
| 2.4985973937 | 0.3081773932 | 0.3081788466 | 0.3079093624 | 0.3074128047 | 0.3086081837 | 0.3102530099 | 0.3108040036 | 0.3081773912 |
| 2.5011366187 | 0.3076120271 | 0.3076119870 | 0.3073412088 | 0.3068507841 | 0.3080548115 | 0.3097038066 | 0.3102556506 | 0.3076120251 |
| 2.5036758437 | 0.3070438973 | 0.3070423632 | 0.3067702936 | 0.3062860000 | 0.3074986319 | 0.3091517489 | 0.3097044283 | 0.3070438953 |
| 2.5062150687 | 0.3064730126 | 0.3064699842 | 0.3061966259 | 0.3057184611 | 0.3069396533 | 0.3085968451 | 0.3091503449 | 0.3064730106 |
| 2.5087542937 | 0.3058993822 | 0.3058948591 | 0.3056202150 | 0.3051481765 | 0.3063778844 | 0.3080391038 | 0.3085934089 | 0.3058993802 |
| 2.5112935186 | 0.3053230156 | 0.3053169977 | 0.3050410706 | 0.3045751555 | 0.3058133343 | 0.3074785339 | 0.3080336294 | 0.3053230136 |
| 2.5138327436 | 0.3047439225 | 0.3047364096 | 0.3044592027 | 0.3039994079 | 0.3052460122 | 0.3069151445 | 0.3074710154 | 0.3047439206 |
| 2.5163719686 | 0.3041621131 | 0.3041531051 | 0.3038746214 | 0.3034209436 | 0.3046759279 | 0.3063489452 | 0.3069055764 | 0.3041621111 |
| 2.5189111936 | 0.3035775975 | 0.3035670947 | 0.3032873374 | 0.3028397729 | 0.3041030912 | 0.3057799458 | 0.3063373223 | 0.3035775955 |
| 2.5214504186 | 0.3029903865 | 0.3029783889 | 0.3026973614 | 0.3022559064 | 0.3035275123 | 0.3052081564 | 0.3057662631 | 0.3029903845 |
| 2.5239896436 | 0.3024004910 | 0.3023869990 | 0.3021047046 | 0.3016693549 | 0.3029492018 | 0.3046335874 | 0.3051924093 | 0.3024004890 |
| 2.5265288686 | 0.3018079223 | 0.3017929362 | 0.3015093785 | 0.3010801296 | 0.3023681705 | 0.3040562495 | 0.3046157715 | 0.3018079203 |
| 2.5290680936 | 0.3012126918 | 0.3011962120 | 0.3009113947 | 0.3004882420 | 0.3017844295 | 0.3034761537 | 0.3040363607 | 0.3012126898 |
| 2.5316073186 | 0.3006148113 | 0.3005968385 | 0.3003107652 | 0.2998937037 | 0.3011979902 | 0.3028933113 | 0.3034541883 | 0.3006148093 |
| 2.5341465436 | 0.3000142930 | 0.2999948277 | 0.2997075023 | 0.2992965268 | 0.3006088643 | 0.3023077339 | 0.3028692657 | 0.3000142910 |
| 2.5366857686 | 0.2994111491 | 0.2993901922 | 0.2991016186 | 0.2986967235 | 0.3000170637 | 0.3017194334 | 0.3022816050 | 0.2994111471 |
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
pdf("../Manuscript/density-mu.pdf", family="Times", width=8, height=5) p dev.off()
3.7 Optimal mu
Find the optimal \(\mu\) in VDZ-BFD for each molecule and atom, making a spline interpolation of the total energy wrt \(\mu\).
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
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
3.8 Figure MAD DZ TZ QZ
data <- data.frame(ref["Molecule"]) data <- subset(raw_data, (Method == "DMC" & Basis == "VDZ-BFD" & AtomizationEnergy != 0.)) aggregate(ae.diff~Mu, na.omit(data), mad)
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
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$") ) labels[7] <- TeX(labels[7]) labels[8] <- "Optimal" p <- ggplot(d, aes(x=Basis, y=ae.diff, color=Mu)) p <- p + scale_x_discrete(name="Basis set", limits=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD"), labels=c("VDZ-BFD", "VTZ-BFD", "VQZ-BFD") ) p <- p + scale_y_continuous(name = TeX("Error (kcal/mol)")) p <- p + scale_colour_discrete(name = expression(mu), labels = labels) p <- p + geom_boxplot(varwidth=FALSE,alpha = 1, outlier.shape = 3) p <- p + geom_point(position = position_dodge(.75), alpha=.2, size=3, stroke=0) p <- p + theme(text = element_text(size = 20, family="Times")) p
pdf("../Manuscript/g2-dmc.pdf", family="Times", width=16, height=5) p dev.off()
3.9 Figure Ndet DZ TZ QZ
data <- subset(raw_data, (Method == "DMC" & AtomizationEnergy != 0. & Mu != "opt")) fill <- "#4271AE" line <- "#1F3552" d = data[c("Mu","Ndet","Molecule","Basis")] d$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
pdf("../Manuscript/g2-ndet.pdf", family="Times", width=16, height=5) p dev.off()