posted on 2024-12-09, 05:05authored byDavid Waide, Charles Patterson
Theoretical best estimate (TBE) and computed excited state energies for all molecules
considered in this work in eV. TBE were obtained from Loos et al., J. Chem. The-
ory Comput. (2020) 16, 1711 and Christiansen et al., J. Chem. Phys. (1996), 105,
6921. The column heading CIS refers to a conventional CIS calculation. Column head-
ings TDA@RPA, FULL@RPA, TDA@scTDHF and TDA@TDHF refer to the type of
Bethe-Salpeter equation and polarizability calculation used to calculate the self-energy.
FULL/TDA imply that the B matrix in Eq. 1 in the main text is included/omitted.
RPA, scTDHF and TDHF refer to the screening employed in the polarizability and
screened interaction calculations.