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Journal of Chemical Physics

Volumn 117, Issue 7, 2002, Pages 3020-3026

Improved heat capacity estimator for path integral simulations

(2) Glaesemann, Kurt R a Fried, Laurence E a

a LAWRENCE LIVERMORE NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; ESTIMATION; GIBBS FREE ENERGY; QUANTUM THEORY; SPECIFIC HEAT; THERMODYNAMICS;

CONSTANT VOLUME SPECIFIC HEAT; DOUBLE CENTROID VIRIAL ESTIMATORS; NUMERICAL DIFFERENTIATION; PROJECTED CENTROID VIRIAL ESTIMATORS; PROJECTED THERMODYNAMIC VIRIAL ESTIMATORS;

MONTE CARLO METHODS;

EID: 0037103802 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1493184 Document Type: Article

Times cited : (37)

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