Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

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Authors: Rudraditya Sarkar; Pierre-François Loos; Martial Boggio-Pasqua; Denis Jacquemin

Journal title: Journal of Chemical Theory and Computation

Journal number: 18

Journal publisher: American Chemical Society

Published year: 2022

Published pages: 2418-2436

DOI identifier: 10.48550/arxiv.2111.15386

ISSN: 1549-9618