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Comment on "A posteriori localization of many-body excited states through simultaneous diagonalization".

Yu-Chen WangShishi FengWanZhen LiangYi Zhao
Published in: Journal of computational chemistry (2023)
We 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).
Keyphrases
  • psychometric properties
  • energy transfer