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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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bse_eighth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_fifth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_first_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_fourth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_ninth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_second_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_seventh_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_sixth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_tenth_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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bse_third_excitation
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BSE excitations
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2020-12-02 11:28:47 +01:00 |
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cis_eighth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_fifth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_first_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_fourth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_ninth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_second_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_seventh_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_sixth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_tenth_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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cis_third_excitation
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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eighth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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eom_cssd_eighth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_fifth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_first_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_fourth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_ninth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_second_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_seventh_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_sixth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_tenth_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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eom_cssd_third_excitation
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eom-ccsd excitations
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2020-11-25 17:50:00 +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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fifth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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first.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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fourth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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gaussian_energy_eom_ccsd_first.txt
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EOM results on H2
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2020-11-12 08:18:49 +01:00 |
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gaussian_energy_eom_ccsd_second.txt
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EOM results on H2
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2020-11-12 08:18:49 +01:00 |
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h2_eom_cssd_first_excitation.txt
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first excitation EOM-CCSD
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2020-11-23 13:59:14 +01:00 |
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h2_eom_cssd_second_excitation.txt
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second and third excitation EOM-CCSD
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2020-11-23 14:09:21 +01:00 |
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h2_eom_cssd_third_excitation.txt
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second and third excitation EOM-CCSD
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2020-11-23 14:09:21 +01:00 |
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h2_qchem_energy_sf_cis_double_exc.txt
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results of SF-CIS on H2
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2020-11-05 11:39:13 +01:00 |
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h2_qchem_energy_sf_cis.txt
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results of SF-CIS on H2
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2020-11-05 11:39:13 +01:00 |
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h2_qchem_energy_triplet_cis.txt
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add H2 triplet state energy with SF-CIS
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2020-11-19 16:57:28 +01:00 |
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h2_qchem_first_excitation_cis.txt
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CIS and sf-CIS results
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2020-11-23 12:46:04 +01:00 |
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h2_qchem_first_excitation_sf_cis.txt
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CIS and sf-CIS results
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2020-11-23 12:46:04 +01:00 |
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h2_qchem_first_excitation_sf_tddft.txt
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sf-tddft for H2
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2020-11-23 11:00:06 +01:00 |
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h2_qchem_first_excitation_tddft.txt
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single excitation TDDFT
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2020-11-23 16:25:34 +01:00 |
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h2_qchem_second_excitation_sf_tddft.txt
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sf-tddft for H2
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2020-11-23 11:26:47 +01:00 |
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h2_qchem_third_excitation_sf_cis.txt
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add S square and excitations of sf-cis
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2020-11-20 09:26:43 +01:00 |
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h2_qchem_third_excitation_sf_tddft.txt
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sf-tddft for H2
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2020-11-23 11:00:06 +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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ninth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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S_square_double_excited_sf_cis.txt
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add S square and excitations of sf-cis
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2020-11-20 09:26:43 +01:00 |
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S_square_gs_sf_cis.txt
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add S square and excitations of sf-cis
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2020-11-20 09:26:43 +01:00 |
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second.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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seq
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add seq (coordinates)
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2020-12-02 11:25:30 +01:00 |
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seventh.txt
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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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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_fifth_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_first_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_fourth_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_ninth_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_second_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_seventh_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_sixth_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_tenth_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_bse_third_excitation
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SF-BSE excitations
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2020-12-02 11:29:16 +01:00 |
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sf_cis_eighth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_fifth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_first_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_fourth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_ninth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_second_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_seventh_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_sixth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_tenth_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_cis_third_excitation
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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sf_tddft_eighth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_fifth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_first_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_fourth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_ninth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_second_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_seventh_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_sixth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_tenth_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sf_tddft_third_excitation
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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sixth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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tddft_eighth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_fifth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_first_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_fourth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_ninth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_second_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_seventh_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_sixth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_tenth_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tddft_third_excitation
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TDDFT excitations
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2020-12-01 10:40:42 +01:00 |
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tenth.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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third.txt
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
