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