From 036ea7020760e10b95441852d8c6b80b72d67c3b Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Thu, 5 Nov 2020 11:39:13 +0100 Subject: [PATCH] results of SF-CIS on H2 --- output/h2_qchem_energy_sf_cis.txt | 51 ++++++++++++++++++++ output/h2_qchem_energy_sf_cis_double_exc.txt | 51 ++++++++++++++++++++ 2 files changed, 102 insertions(+) create mode 100644 output/h2_qchem_energy_sf_cis.txt create mode 100644 output/h2_qchem_energy_sf_cis_double_exc.txt diff --git a/output/h2_qchem_energy_sf_cis.txt b/output/h2_qchem_energy_sf_cis.txt new file mode 100644 index 0000000..9c2cc0a --- /dev/null +++ b/output/h2_qchem_energy_sf_cis.txt @@ -0,0 +1,51 @@ +-1.05273852 +-1.11061508 +-1.13297072 +-1.13670875 +-1.13053843 +-1.11926495 +-1.10567687 +-1.09144318 +-1.07757103 +-1.06465751 +-1.05303428 +-1.04285422 +-1.03414641 +-1.02685409 +-1.02086331 +-1.01602619 +-1.01218021 +-1.00916324 +-1.00682398 +-1.00502815 +-1.00366103 +-1.00262753 +-1.00185074 +-1.00126966 +-1.00083667 +-1.00051511 +-1.00027701 +-1.00010120 +-0.99997177 +-0.99987678 +-0.99980728 +-0.99975659 +-0.99971971 +-0.99969293 +-0.99967351 +-0.99965941 +-0.99964916 +-0.99964169 +-0.99963623 +-0.99963222 +-0.99962925 +-0.99962704 +-0.99962539 +-0.99962414 +-0.99962318 +-0.99962245 +-0.99962188 +-0.99962143 +-0.99962108 +-0.99962080 +-0.99962057 diff --git a/output/h2_qchem_energy_sf_cis_double_exc.txt b/output/h2_qchem_energy_sf_cis_double_exc.txt new file mode 100644 index 0000000..c1ef590 --- /dev/null +++ b/output/h2_qchem_energy_sf_cis_double_exc.txt @@ -0,0 +1,51 @@ +-0.49536708 +-0.58212470 +-0.62995687 +-0.65678975 +-0.67196455 +-0.68047937 +-0.68504118 +-0.68711882 +-0.68752579 +-0.68673245 +-0.68502941 +-0.68261210 +-0.67962072 +-0.67615960 +-0.67231173 +-0.66815114 +-0.66375013 +-0.65918000 +-0.65450649 +-0.64978360 +-0.64504997 +-0.64032997 +-0.63563803 +-0.63098352 +-0.62637421 +-0.62181788 +-0.61732283 +-0.61289758 +-0.60855059 +-0.60428987 +-0.60012282 +-0.59607697 +-0.59216660 +-0.58834587 +-0.58462692 +-0.58101967 +-0.57753209 +-0.57417036 +-0.57093893 +-0.56784050 +-0.56487603 +-0.56204477 +-0.55934443 +-0.55677129 +-0.55432047 +-0.55198621 +-0.54976211 +-0.54764145 +-0.54561740 +-0.54368323 +-0.54183245