From 6a8d599bda372f18e301bdff5d6b4b58eb22dfac Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Thu, 12 Nov 2020 08:18:49 +0100 Subject: [PATCH] EOM results on H2 --- output/gaussian_energy_eom_ccsd_first.txt | 51 ++++++++++++++++++++++ output/gaussian_energy_eom_ccsd_second.txt | 51 ++++++++++++++++++++++ 2 files changed, 102 insertions(+) create mode 100644 output/gaussian_energy_eom_ccsd_first.txt create mode 100644 output/gaussian_energy_eom_ccsd_second.txt diff --git a/output/gaussian_energy_eom_ccsd_first.txt b/output/gaussian_energy_eom_ccsd_first.txt new file mode 100644 index 0000000..16ede76 --- /dev/null +++ b/output/gaussian_energy_eom_ccsd_first.txt @@ -0,0 +1,51 @@ +-0.586757144187 +-0.691613054770 +-0.762107568433 +-0.813268102506 +-0.852362897985 +-0.883106004732 +-0.907586420176 +-0.927145203227 +-0.942756637123 +-0.955182698212 +-0.965037056540 +-0.972818689564 +-0.978935468734 +-0.983721228353 +-0.987448616354 +-0.990338700236 +-0.992569576663 +-0.994284061740 +-0.995596253618 +-0.996596829810 +-0.997357422782 +-0.997933821867 +-0.998369239293 +-0.998696938315 +-0.998942644144 +-0.999125877180 +-0.999261903407 +-0.999362326792 +-0.999435994890 +-0.999489929393 +-0.999529073579 +-0.999557354527 +-0.999577653580 +-0.999592214370 +-0.999602501705 +-0.999609695582 +-0.999614649847 +-0.999618012895 +-0.999620221368 +-0.999621646677 +-0.999622510971 +-0.999622978977 +-0.999623176942 +-0.999623187631 +-0.999623068431 +-0.999622919609 +-0.999622677303 +-0.999622428360 +-0.999622244514 +-0.999622000797 +-0.999621774364 diff --git a/output/gaussian_energy_eom_ccsd_second.txt b/output/gaussian_energy_eom_ccsd_second.txt new file mode 100644 index 0000000..587401a --- /dev/null +++ b/output/gaussian_energy_eom_ccsd_second.txt @@ -0,0 +1,51 @@ +-0.526521066827 +-0.614275635331 +-0.665578400390 +-0.696462677560 +-0.715293171775 +-0.726737944302 +-0.733516178750 +-0.737235404518 +-0.738859826264 +-0.738979884656 +-0.737970025692 +-0.736079651995 +-0.733481225782 +-0.730297035456 +-0.726620712290 +-0.722534845939 +-0.718121705393 +-0.713465315003 +-0.708646548198 +-0.703735030638 +-0.698783592844 +-0.693827916980 +-0.688891164482 +-0.683989404208 +-0.679136226309 +-0.674344238994 +-0.669626444637 +-0.664995567580 +-0.660463834346 +-0.656042816769 +-0.651742360931 +-0.647571065777 +-0.643535828303 +-0.639642082782 +-0.635893446969 +-0.632292175401 +-0.628839091030 +-0.625533707868 +-0.622374249696 +-0.619357840030 +-0.616481371935 +-0.613740228995 +-0.611126520952 +-0.608634505391 +-0.606257903972 +-0.603990171923 +-0.601824519979 +-0.599754387001 +-0.597773416893 +-0.595875338484 +-0.594054495055