Molecular dynamics simulations of the effects of truncation of the Taylor expansion of the potential energy on the thermodynamic properties of a crystal

Journal of Chemical Physics

Volumn 105, Issue 10, 1996, Pages 4185-4190

  Lacks, Daniel J ^a   Shukla, Ramesh C ^b  

^a Tulane University   (United States)

^b BROCK UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 5844402291     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472289     Document Type: Article

References (11)

1. E.g., Refs. 2, 3, 7, 10, and 11 below.
2. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Saunders College Press, Philadelphia, 1976).
3. G. Leibfried and W. Ludwig, in Solid State Physics, edited by F. Seitz and D. TurnbuII (Academic, New York, 1961), Vol. 12, p. 275.
4. A. Roitberg, R. B. Gerber, R. Eiber, and M. A. Ratner, Science 268, 1319 (1995).
5. P. F. Choquard, The Anhannonic Crystal (Benjamin, New York, 1967).
6. R. C. Shukla and D. J. Lacks, Phys. Rev. B (submitted).
7. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954).
8. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
9. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes: The Art of Scientific Computing (Cambridge University Press, Cambridge, 1986).
10. M. L. Klein, G. K. Horton, and J. L. Feldman, Phys. Rev. 184, 968 (1969).
11. R. C. Shukla and E. R. Cowley, Phys. Rev. B 31, 372 (1985).