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cis excitations

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This commit is contained in:
EnzoMonino 2020-11-25 17:24:03 +01:00
parent 0ebe0cf013
commit 3b73b16075
10 changed files with 510 additions and 0 deletions
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51
output/cis_eighth_excitation Normal file
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27.6846
26.6054
25.6113
24.0573
22.5964
21.3188
20.2243
19.2876
18.4862
18.2562
18.2642
18.3391
18.4700
18.6427
18.8412
19.0499
19.2550
19.4459
19.6153
19.7589
19.8754
19.9655
20.0313
20.0758
20.1025
20.1149
20.1160
20.1089
20.0959
20.0790
20.0598
20.0395
20.0189
19.9986
19.9791
19.9607
19.9435
19.9275
19.9129
19.8995
19.8874
19.8765
19.8667
19.8579
19.8501
19.8431
19.8370
19.8316
19.8269
19.8228
19.8192

51
output/cis_fifth_excitation Normal file
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22.8892
21.7867
20.8683
20.0350
18.7913
17.7514
16.8827
16.1506
15.5289
15.0989
14.9500
14.8306
14.7312
14.6442
14.5668
14.5000
14.4419
14.3839
14.3115
14.2113
14.0788
13.9196
13.7444
13.5638
13.3864
13.2182
13.0629
12.9228
12.7992
12.6926
12.6030
12.5301
12.4734
12.4319
12.4047
12.3904
12.3877
12.3950
12.4107
12.4332
12.4609
12.4924
12.5263
12.5613
12.5966
12.6312
12.6645
12.6959
12.7252
12.7521
12.7765

51
output/cis_first_excitation Normal file
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13.9868
12.3097
10.6867
9.1380
7.6843
6.3417
5.1183
4.0147
3.0258
2.1433
1.3570
0.6568
0.0329
-0.5240
-1.0220
-1.4686
-1.8700
-2.2317
-2.5587
-2.8550
-3.1243
-3.3697
-3.5939
-3.7994
-3.9881
-4.1620
-4.3224
-4.4707
-4.6081
-4.7355
-4.8539
-4.9639
-5.0663
-5.1616
-5.2505
-5.3333
-5.4105
-5.4825
-5.5497
-5.6124
-5.6710
-5.7256
-5.7767
-5.8245
-5.8691
-5.9110
-5.9502
-5.9869
-6.0215
-6.0539
-6.0845

51
output/cis_fourth_excitation Normal file
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18.6829
17.9563
17.3435
16.8281
16.4002
16.0473
15.7523
15.4998
15.2822
14.9980
14.5425
14.1500
13.8108
13.5182
13.2667
13.0520
12.8691
12.7129
12.5787
12.4625
12.3618
12.2757
12.2041
12.1472
12.1050
12.0762
12.0583
12.0475
12.0392
12.0289
12.0123
11.9867
11.9505
11.9035
11.8467
11.7814
11.7099
11.6340
11.5559
11.4773
11.3997
11.3244
11.2524
11.1843
11.1207
11.0619
11.0079
10.9589
10.9147
10.8752
10.8400

51
output/cis_ninth_excitation Normal file
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27.6846
26.6054
25.6650
24.8577
24.1757
23.6096
23.1478
22.7779
22.4892
22.2747
22.0489
20.8979
19.8513
18.9237
18.8412
19.0499
19.2550
19.4459
19.6153
19.7589
19.8754
19.9655
20.0313
20.0758
20.1025
20.1149
20.1160
20.1089
20.0959
20.0790
20.0598
20.0395
20.0189
19.9986
19.9791
19.9607
19.9435
19.9275
19.9129
19.8995
19.8874
19.8765
19.8667
19.8579
19.8501
19.8431
19.8370
19.8316
19.8269
19.8228
19.8192

51
output/cis_second_excitation Normal file
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15.6828
14.9250
14.0316
13.0665
12.1862
11.3841
10.6541
9.9913
9.3922
8.8538
8.3727
7.9452
7.5675
7.2354
6.9449
6.6919
6.4724
6.2828
6.1194
5.9790
5.8587
5.7559
5.6684
5.5943
5.5319
5.4797
5.4363
5.4005
5.3713
5.3476
5.3287
5.3138
5.3023
5.2938
5.2878
5.2840
5.2822
5.2820
5.2833
5.2860
5.2900
5.2952
5.3014
5.3086
5.3168
5.3258
5.3356
5.3462
5.3574
5.3692
5.3815

51
output/cis_seventh_excitation Normal file
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24.7008
23.0622
21.4760
20.1175
19.5181
19.0544
18.7106
18.4711
18.3227
18.2562
18.2642
18.3391
18.4700
18.6427
18.1333
17.5031
17.0603
16.8310
16.8253
17.0211
17.3636
17.7838
18.2186
18.6229
18.9712
19.2538
19.4722
19.6333
19.7466
19.8218
19.8680
19.8930
19.9030
19.9030
19.8967
19.8869
19.8755
19.8636
19.8522
19.8415
19.8319
19.8234
19.8159
19.8095
19.8040
19.7993
19.7953
19.7920
19.7893
19.7871
19.7853

51
output/cis_sixth_excitation Normal file
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22.8892
21.7867
20.8683
20.1175
19.5181
19.0544
18.7106
18.4711
18.3227
17.8012
17.2155
16.7144
16.2858
15.9202
15.6105
15.3499
15.1316
14.9487
14.7947
14.6642
14.5540
14.4626
14.3895
14.3352
14.2996
14.2816
14.2786
14.2868
14.3013
14.3168
14.3286
14.3333
14.3284
14.3131
14.2878
14.2534
14.2117
14.1645
14.1135
14.0605
14.0070
13.9542
13.9030
13.8542
13.8084
13.7659
13.7268
13.6914
13.6596
13.6312
13.6062

51
output/cis_tenth_excitation Normal file
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28.4742
27.1239
25.6650
24.8577
24.1757
23.6096
23.1478
22.7779
22.4892
22.2747
22.1311
22.0551
22.0401
22.0760
21.6873
21.0602
20.5965
20.3170
20.2319
20.3295
20.5713
20.9004
20.8972
20.7428
20.6140
20.5067
20.4170
20.3419
20.2783
20.2242
20.1776
20.1371
20.1015
20.0700
20.0420
20.0169
19.9943
19.9740
19.9509
19.9274
19.9086
19.8931
19.8802
19.8694
19.8601
19.8521
19.8452
19.8392
19.8340
19.8294
19.8254

51
output/cis_third_excitation Normal file
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16.2440
15.0882
14.2930
13.7722
13.3493
13.0104
12.7402
12.5246
12.3542
12.2248
12.1332
12.0733
12.0358
12.0125
11.9978
11.9862
11.9661
11.9186
11.8252
11.6800
11.4938
11.2852
11.0711
10.8637
10.6705
10.4954
10.3404
10.2061
10.0921
9.9979
9.9222
9.8641
9.8221
9.7949
9.7811
9.7791
9.7874
9.8044
9.8284
9.8580
9.8916
9.9280
9.9658
10.0041
10.0419
10.0785
10.1134
10.1461
10.1763
10.2039
10.2289