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Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions. (2024)

First Author: Atalar K

Attributed to: Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/d4fd00062e

PubMed Identifier: 39136121

Publication URI: http://europepmc.org/abstract/MED/39136121

Type: Journal Article/Review

Volume: 254

Parent Publication: Faraday discussions

ISSN: 1359-6640