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On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method (2012)

First Author: Saita K

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

Parent Publication: The Journal of Chemical Physics

Issue: 22

ISSN: 0021-9606