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Journal of Chemical Physics

Volumn 116, Issue 14, 2002, Pages 5951-5956

An improved thermodynamic energy 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

APPROXIMATION THEORY; BROWNIAN MOVEMENT; HAMILTONIANS; INTEGRAL EQUATIONS; MATRIX ALGEBRA; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; QUANTUM THEORY; STATISTICS;

BOLTZMANN CONSTANT; CANONICAL PARTITION FUNCTION; ELECTRONIC STRUCTURE METHOD; PATH INTEGRAL MONTE CARLO METHOD; QUANTUM MECHANICAL ENERGY; THERMODYNAMIC ENERGY ESTIMATOR;

COMPUTER SIMULATION;

EID: 0037041740 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1460861 Document Type: Article

Times cited : (33)

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