Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kjønstad, Eirik F., Angelico, Sara, Koch, Henrik
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2403.01007