sfBSE/output
2020-11-23 14:09:21 +01:00
..
Be mv the inputs and outputs of Be calculation 2020-11-20 09:18:48 +01:00
eighth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
fifth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
first.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
fourth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
gaussian_energy_eom_ccsd_first.txt EOM results on H2 2020-11-12 08:18:49 +01:00
gaussian_energy_eom_ccsd_second.txt EOM results on H2 2020-11-12 08:18:49 +01:00
h2_eom_cssd_first_excitation.txt first excitation EOM-CCSD 2020-11-23 13:59:14 +01:00
h2_eom_cssd_second_excitation.txt second and third excitation EOM-CCSD 2020-11-23 14:09:21 +01:00
h2_eom_cssd_third_excitation.txt second and third excitation EOM-CCSD 2020-11-23 14:09:21 +01:00
h2_qchem_energy_sf_cis_double_exc.txt results of SF-CIS on H2 2020-11-05 11:39:13 +01:00
h2_qchem_energy_sf_cis.txt results of SF-CIS on H2 2020-11-05 11:39:13 +01:00
h2_qchem_energy_triplet_cis.txt add H2 triplet state energy with SF-CIS 2020-11-19 16:57:28 +01:00
h2_qchem_first_excitation_cis.txt CIS and sf-CIS results 2020-11-23 12:46:04 +01:00
h2_qchem_first_excitation_sf_cis.txt CIS and sf-CIS results 2020-11-23 12:46:04 +01:00
h2_qchem_first_excitation_sf_tddft.txt sf-tddft for H2 2020-11-23 11:00:06 +01:00
h2_qchem_second_excitation_sf_tddft.txt sf-tddft for H2 2020-11-23 11:26:47 +01:00
h2_qchem_third_excitation_sf_cis.txt add S square and excitations of sf-cis 2020-11-20 09:26:43 +01:00
h2_qchem_third_excitation_sf_tddft.txt sf-tddft for H2 2020-11-23 11:00:06 +01:00
H2_SF-CIS.nb ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
ninth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
S_square_double_excited_sf_cis.txt add S square and excitations of sf-cis 2020-11-20 09:26:43 +01:00
S_square_gs_sf_cis.txt add S square and excitations of sf-cis 2020-11-20 09:26:43 +01:00
second.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
seventh.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
sixth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
tenth.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
third.txt ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00