Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11075-11088

  Horenko, Illia ^a   Salzmann, Christian ^a   Schmidt, Burkhard ^a   Schütte, Christof ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

POTENTIAL ENERGY SURFACE; QUANTUM-CLASSICAL LIOUVILLE EQUATION; QUANTUM-CLASSICAL MOLECULAR DYNAMICS; WIGNER TRANSFORM;

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; EQUATIONS OF MOTION; MATHEMATICAL MODELS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; MONTE CARLO METHODS; QUANTUM THEORY; RANDOM PROCESSES;

MOLECULAR DYNAMICS;

EID: 0037461490     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1522712     Document Type: Article

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