Towards automated multi-dimensional quantum dynamical investigations of double-minimum potentials: Principles and example applications

Chemical Physics

Volumn 380, Issue 1-3, 2011, Pages 1-8

  Sielk, Jan ^a   Von Horsten, H Frank ^b   Hartke, Bernd ^a   Rauhut, Guntram ^c  

^a UNIVERSITY OF KIEL   (Germany)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Ab initio calculations; Many coordinate expansion; Potential energy surface; Quantum mechanical wavepacket dynamics

Indexed keywords

EID: 79952191810     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2010.06.018     Document Type: Article

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