Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules

Nature Communications

Volumn 4, Issue , 2013, Pages

  Gorshkov, Vyacheslav N ^a,b   Tretiak, Sergei ^a   Mozyrsky, Dmitry ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b NATIONAL TECHNICAL UNIVERSITY OF UKRAINE   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ELECTRON; MOLECULAR ANALYSIS; MONTE CARLO ANALYSIS; NUMERICAL METHOD; QUANTUM MECHANICS; SAMPLING;

ALGORITHM; ARTICLE; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; NON ADIABATIC MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SAMPLING;

EID: 84893422817     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms3144     Document Type: Article

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