Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions

Fuente: arXiv

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Bibliographic Details
Main Authors:	Atalar, Kemal, Rath, Yannic, Crespo-Otero, Rachel, Booth, George H.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Strongly Correlated Electrons Computational Physics Quantum Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2403.12275