On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method. (2012)
Attributed to:
Quantum simulations of ultrafast photodynamics with the novel Multi-Configurational Ehrenfest technique
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.4734313
PubMed Identifier: 23249043
Publication URI: http://europepmc.org/abstract/MED/23249043
Type: Journal Article/Review
Volume: 137
Parent Publication: The Journal of chemical physics
Issue: 22
ISSN: 0021-9606