Simulation of electronic and geometric degrees of freedom using a kink-based path integral formulation: Application to molecular systems

Journal of Chemical Physics

Volumn 122, Issue 16, 2005, Pages

  Hall, Randall W ^a  

^a LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SYSTEMS; HARTREE-FOCK ESTIMATOR; MOLECULAR SYSTEMS; TROTTER APPROXIMATION;

AMMONIA; APPROXIMATION THEORY; COMPUTER SIMULATION; ESTIMATION; FUNCTIONS; MATHEMATICAL TRANSFORMATIONS; METHANE; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION;

DEGREES OF FREEDOM (MECHANICS);

EID: 21244484295     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1884945     Document Type: Article

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