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Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping. (2017)

First Author: Carof A

Attributed to: MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.5003820

PubMed Identifier: 29221382

Publication URI: http://europepmc.org/abstract/MED/29221382

Type: Journal Article/Review

Volume: 147

Parent Publication: The Journal of chemical physics

Issue: 21

ISSN: 0021-9606