From a288dc430441f4cfe38c310dad677e567b5c51fa Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Wed, 25 Nov 2020 17:50:00 +0100 Subject: [PATCH] eom-ccsd excitations --- output/eom_cssd_eighth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_fifth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_first_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_fourth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_ninth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_second_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_seventh_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_sixth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_tenth_excitation | 51 ++++++++++++++++++++++++++++++ output/eom_cssd_third_excitation | 51 ++++++++++++++++++++++++++++++ 10 files changed, 510 insertions(+) create mode 100644 output/eom_cssd_eighth_excitation create mode 100644 output/eom_cssd_fifth_excitation create mode 100644 output/eom_cssd_first_excitation create mode 100644 output/eom_cssd_fourth_excitation create mode 100644 output/eom_cssd_ninth_excitation create mode 100644 output/eom_cssd_second_excitation create mode 100644 output/eom_cssd_seventh_excitation create mode 100644 output/eom_cssd_sixth_excitation create mode 100644 output/eom_cssd_tenth_excitation create mode 100644 output/eom_cssd_third_excitation diff --git a/output/eom_cssd_eighth_excitation b/output/eom_cssd_eighth_excitation new file mode 100644 index 0000000..4eb9f15 --- /dev/null +++ b/output/eom_cssd_eighth_excitation @@ -0,0 +1,51 @@ +37.2835 +35.9570 +34.4557 +32.8184 +31.1621 +29.5913 +28.1669 +26.9138 +25.8357 +24.9263 +24.1746 +23.5662 +23.0841 +22.7090 +22.3782 +22.1660 +22.0415 +21.9900 +21.9815 +21.9677 +21.7221 +21.6908 +21.6701 +21.6573 +21.6501 +21.6471 +21.6468 +21.6483 +21.6510 +21.6544 +21.6581 +21.6619 +21.6657 +21.6693 +21.6727 +21.6760 +21.7030 +21.7299 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