Performance of quasi-degenerate scaled opposite spin perturbation corrections to single excitation configuration interaction for excited state structures and excitation energies with application to the Stokes shift of 9-methyl-9,10-dihydro-9-silaphenanthrene.

Abstract

The quasi-degenerate scaled opposite spin perturbation correction to single excitation configuration interaction (SOS-CIS(D0)) is a promising electronic structure method that can describe electronically excited states of sizable molecular systems. In this article, we report an assessment of the performance of SOS-CIS(D0) for adiabatic electronic transition… (More)
DOI: 10.1021/jp903659u

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