Supplement Number 1

Name: Supplement Number 1
Published: 2025-10-03T12:06:02+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: noniterative triple excitations, equation-of-motion coupled-cluster theory, excited energies

https://doi.org/10.60893/figshare.jcp.30143119

dataset

posted on 2025-10-03, 12:06 authored by Minggang Guo, Fan Wang, Zhifan Wang

See the supplementary material for detailed information on the vertical excitation energies of a serial of organic molecules using different EOM-CC methods and FCI.