Quantum-mechanical evaluation of the Boltzmann operator in correlation functions for large molecular systems: A multilayer multiconfiguration time-dependent Hartree approach

Journal of Chemical Physics

Volumn 124, Issue 3, 2006, Pages

  Wang, Haobin ^a   Thoss, Michael ^b  

^a NEW MEXICO STATE UNIVERSITY   (United States)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN OPERATOR; COMPLEX MOLECULAR SYSTEMS; HARTREE THEORY; TIME CORRELATION FUNCTIONS;

APPROXIMATION THEORY; ELECTRON TRANSITIONS; MATHEMATICAL OPERATORS; MONTE CARLO METHODS; QUANTUM THEORY;

MOLECULAR DYNAMICS;

EID: 31144471615     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2161178     Document Type: Article

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