sfBSE/output
2020-12-04 13:50:53 +01:00
..
Be mv the inputs and outputs of Be calculation 2020-11-20 09:18:48 +01:00
bse_eighth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_fifth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_first_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_fourth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_ninth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_second_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_seventh_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_sixth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_tenth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
bse_third_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
cis_eighth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_fifth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_first_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_fourth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_ninth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_second_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_seventh_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_sixth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_tenth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
cis_third_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
eom_cssd_eighth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_fifth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_first_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_fourth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_ninth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_second_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_seventh_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_sixth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_tenth_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_cssd_third_excitation EOM-CCSD excitation energies 2020-12-04 13:47:13 +01:00
eom_ucssd_eighth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_fifth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_first_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_fourth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_ninth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_second_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_seventh_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_sixth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_tenth_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
eom_ucssd_third_triplet_excitation EOM-CCSD triplet excitations 2020-12-01 14:02:17 +01:00
H2_SF-CIS.nb ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
sf_bse_eighth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_fifth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_first_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_fourth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_ninth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_second_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_seventh_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_sixth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_tenth_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_bse_third_excitation BSE and SF-BSE excitation energies cc-pVQZ 2020-12-03 18:55:04 +01:00
sf_cis_eighth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_fifth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_first_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_fourth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_ninth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_second_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_seventh_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_sixth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_tenth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_cis_third_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_eighth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_fifth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_first_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_fourth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_ninth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_second_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_seventh_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_sixth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_tenth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
sf_tddft_third_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_eighth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_fifth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_first_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_fourth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_ninth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_second_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_seventh_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_sixth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_tenth_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00
tddft_third_excitation CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies 2020-12-04 13:50:53 +01:00