Ab initio classical trajectories on the Born-Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits

Journal of Chemical Physics

Volumn 111, Issue 9, 1999, Pages 3800-3805

  Millam, John M ^a   Bakken, Vebjørn ^a,b   Chen, Wei ^a   Hase, William L ^a   Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000884580     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480037     Document Type: Article

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