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sfBSE/output
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EnzoMonino 5c333fbb08 sf-tddft for H2
2020-11-23 11:26:47 +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_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_sf_cis.txt
add S square and excitations of sf-cis
2020-11-20 09:26:43 +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