Absolute entropy and free energy of fluids using the hypothetical scanning method. I. Calculation of transition probabilities from local grand canonical partition functions

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12084-12095

  Szarecka, Agnieszka ^a   White, Ronald P ^a   Meirovitch, Hagal ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ARGON; BOUNDARY CONDITIONS; COMPUTER SIMULATION; ENTROPY; FLUIDS; FREE ENERGY; MATHEMATICAL MODELS; MONTE CARLO METHODS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

HYPOTHETICAL SCANNING METHOD; LOCAL GRAND CANONICAL PARTITION FUNCTIONS; STEPWISE RECONSTRUCTION PROCEDURE; TRANSITION PROBABILITIES;

MOLECULAR DYNAMICS;

EID: 0346186095     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1625919     Document Type: Article

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