Affiliation:
1. State Key Laboratory of Physical Chemistry of Solid Surfaces iChEM, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry and College of Chemistry and Chemical Engineering, Xiamen University Xiamen People's Republic of China
Abstract
AbstractWe comment on an excited‐state localization method recently proposed by Blanc et al. (J. Comput. Chem. 2023, 44, 105). Elaborate comparisons are made to demonstrate that their method is a less‐comprehensive version of the diabatization method proposed by us 2 years earlier (J. Phys. Chem. Lett. 2021, 12, 1032).
Funder
National Natural Science Foundation of China
China Postdoctoral Science Foundation
Subject
Computational Mathematics,General Chemistry