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sfBSE/output
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EnzoMonino 6da385d2b7 new cbutadiene
2020-12-08 08:53:14 +01:00
..
Be
mv the inputs and outputs of Be calculation
2020-11-20 09:18:48 +01:00
cbutadiene
cbutadiene.xyz
2020-12-07 14:50:20 +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_energy_rhf
energy RHF for H2
2020-12-07 08:03:00 +01:00
H2_SF-CIS.nb
ouput of EOM-CCSD
2020-11-20 08:58:00 +01:00
new_cbutadiene.com
new cbutadiene
2020-12-08 08:53:14 +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