Quantum mechanical single molecule partition function from path integral Monte Carlo simulations

Journal of Chemical Physics

Volumn 124, Issue 23, 2006, Pages

  Chempath, Shaji ^a   Predescu, Cristian ^b   Bell, Alexis T ^a  

^a University of California   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HARMONIC POTENTIAL; MONTE CARLO ESTIMATOR; PARTITION FUNCTION;

COMPUTER SIMULATION; FREE ENERGY; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; THERMODYNAMICS;

MOLECULAR DYNAMICS;

EID: 33745289780     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2196885     Document Type: Article

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