Information theory approach to the isothermal-isobaric ensemble. 2: Monte Carlo simulations with Lennard-Jones potential

Journal of Molecular Structure: THEOCHEM

Volumn 617, Issue 1-3, 2002, Pages 1-4

  Jalbout, Abraham F ^a,b  

^a DILLARD UNIVERSITY   (United States)

^b UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Attard; Hill; Isothermal isobaric ensemble; Partition function; Volume

Indexed keywords

ARGON; METHANE;

ARTICLE; CALCULATION; CORRELATION FUNCTION; GAS; INFORMATION SCIENCE; MONTE CARLO METHOD; PARTITION COEFFICIENT; PRESSURE; TEMPERATURE; THERMODYNAMICS;

EID: 0037206438     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00264-6     Document Type: Article

References (9)

1. A.F. Jalbout, J. Mol. Struct. (Theochem) Part 1, submitted for publication.
2. T.L. Hill, Statistical Mechanics, McGraw-Hill, New York, 1956, pp. 66-68.
3. R.A. Sack, Mol. Phys. 2 (1959) 8.
4. W.B. Brown, Mol. Phys. 1 (1958) 68.
5. P. Attard, J. Chem. Phys. 103 (1995) 9884
6. R.D. Rosenkrantz (Eds.), Papers on Probability, Statistics, and Statistical Physics, Reidel, Dordrecht, 1983.
7. D.A. McQuarrie, Statistical Mechanics, University Science Books, Sausalito, CA, 2000, pp. 222-223.
8. B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, Academic Press, San Diego, 1996.
9. G.M. Barrow, Physical Chemistry, McGraw-Hill, New York, 1979. 5-8