results of SF-CIS on H2
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output/h2_qchem_energy_sf_cis.txt
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51
output/h2_qchem_energy_sf_cis.txt
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-1.05273852
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-1.11061508
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-1.13297072
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-1.13670875
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-1.13053843
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-1.11926495
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-1.10567687
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-1.09144318
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-1.07757103
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-1.06465751
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-1.05303428
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-1.04285422
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-1.03414641
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-1.02685409
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-1.02086331
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-1.01602619
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-1.01218021
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-1.00916324
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-1.00682398
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-1.00502815
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-1.00366103
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-1.00262753
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-1.00185074
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-1.00126966
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-1.00083667
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-1.00051511
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-1.00027701
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-1.00010120
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-0.99997177
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-0.99987678
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-0.99980728
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-0.99975659
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-0.99971971
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-0.99969293
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-0.99967351
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-0.99965941
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-0.99964916
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-0.99964169
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-0.99963623
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-0.99963222
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-0.99962925
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-0.99962704
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-0.99962539
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-0.99962414
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-0.99962318
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-0.99962245
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-0.99962188
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-0.99962143
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-0.99962108
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-0.99962080
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-0.99962057
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output/h2_qchem_energy_sf_cis_double_exc.txt
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output/h2_qchem_energy_sf_cis_double_exc.txt
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-0.49536708
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-0.58212470
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-0.62995687
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-0.65678975
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-0.67196455
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-0.68047937
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-0.68504118
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-0.68711882
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-0.68752579
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-0.68673245
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-0.68502941
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-0.68261210
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-0.67962072
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-0.67615960
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-0.67231173
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-0.66815114
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-0.66375013
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-0.65918000
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-0.65450649
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-0.64978360
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-0.64504997
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-0.64032997
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-0.63563803
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-0.63098352
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-0.62637421
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-0.62181788
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-0.61732283
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-0.61289758
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-0.60855059
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-0.60428987
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-0.60012282
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-0.59607697
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-0.59216660
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-0.58834587
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-0.58462692
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-0.58101967
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-0.57753209
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-0.57417036
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-0.57093893
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-0.56784050
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-0.56487603
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-0.56204477
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-0.55934443
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-0.55677129
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-0.55432047
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-0.55198621
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-0.54976211
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-0.54764145
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-0.54561740
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-0.54368323
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-0.54183245
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