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Be
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mv the inputs and outputs of Be calculation
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2020-11-20 09:18:48 +01:00 |
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cbutadiene
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cbutadiene_square
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2020-12-09 08:31:57 +01:00 |
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bse_eighth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_fifth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_first_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_fourth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_ninth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_second_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_seventh_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_sixth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_tenth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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bse_third_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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cis_eighth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_fifth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_first_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_fourth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_ninth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_second_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_seventh_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_sixth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_tenth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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cis_third_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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eom_cssd_eighth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_fifth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_first_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_fourth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_ninth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_second_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_seventh_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_sixth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_tenth_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_cssd_third_excitation
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EOM-CCSD excitation energies
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2020-12-04 13:47:13 +01:00 |
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eom_ucssd_eighth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_fifth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_first_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_fourth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_ninth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_second_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_seventh_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_sixth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_tenth_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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eom_ucssd_third_triplet_excitation
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EOM-CCSD triplet excitations
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2020-12-01 14:02:17 +01:00 |
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h2_energy_rhf
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energy RHF for H2
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2020-12-07 08:03:00 +01:00 |
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H2_SF-CIS.nb
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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sf_bse_eighth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_fifth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_first_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_fourth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_ninth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_second_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_seventh_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_sixth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_tenth_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_bse_third_excitation
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BSE and SF-BSE excitation energies cc-pVQZ
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2020-12-03 18:55:04 +01:00 |
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sf_cis_eighth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_fifth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_first_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_fourth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_ninth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_second_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_seventh_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_sixth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_tenth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_cis_third_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_eighth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_fifth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_first_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_fourth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_ninth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_second_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_seventh_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_sixth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_tenth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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sf_tddft_third_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_eighth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_fifth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_first_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_fourth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_ninth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_second_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_seventh_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_sixth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_tenth_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
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tddft_third_excitation
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CIS, TDDFT, SF-CIS and SF_TDDFT excitation energies
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2020-12-04 13:50:53 +01:00 |
