Parallel Fourier path-integral Monte Carlo calculations of absolute free energies and chemical equilibria

Computer Physics Communications

Volumn 128, Issue 1, 2000, Pages 446-464

  Srinivasan, Jay ^a   Volobuev, Yuri L ^a   Mielke, Steven L ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SOFTWARE; FORTRAN (PROGRAMMING LANGUAGE); FOURIER TRANSFORMS; INTEGRAL EQUATIONS; INTERFACES (COMPUTER); MOLECULAR VIBRATIONS; MONTE CARLO METHODS; PARALLEL ALGORITHMS;

CHEMICAL EQUILIBRIA; FEYNMAN PATH INTEGRAL; MESSAGE PASSING INTERFACE; MOLECULAR ROTATION; TRIATOMIC MOLECULE;

FREE ENERGY;

EID: 0034625271     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00052-7     Document Type: Article

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