Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation

Autor:	Justin J. Talbot, Martin Head-Gordon, William H. Miller, Stephen J. Cotton
Rok vydání:	2022
Předmět:	Physics::Atomic and Molecular Clusters General Physics and Astronomy Physics::Chemical Physics Physical and Theoretical Chemistry Astrophysics::Galaxy Astrophysics
Zdroj:	Physical Chemistry Chemical Physics. 24:4820-4831
ISSN:	1463-9084 1463-9076
Popis:	Wave packet dynamics and the symmetric quasi-classical approach are employed to study the nonadiabatic dynamics of gas phase sodium hydride.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::798b3fe6995b13ebc0fd532b458bbada https://doi.org/10.1039/d1cp04090a Zobrazit plný text záznamu