| .. |
|
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
|
single excitation CIS
|
2020-11-23 12:41:03 +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 |
