\textit{PotLib 2023}: new version of a potential energy surface library for chemical systems

DOI10.1016/J.CPC.2023.108937MaRDI QIDQ6086766

Joaquin Espinosa-Garcia, Zoltán Varga, Yinan Shu, Ahren Jasper, Jose C. Corchado, Donald G. Truhlar

Publication date: 10 November 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

potential energy functionsadiabatic potential energy surfacesdiabatic potential energy matricesnonadiabatic couplings

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Computer science (68-XX)

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