A molecular dynamics algorithm for mixed hard-core/continuous potentials

Molecular Physics

Volumn 98, Issue 5, 2000, Pages 309-316

  Houndonougbo, Yao A ^a   Laird, Brian B ^a   Leimkuhler, Benedict J ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ENERGY CONSERVATION; EQUATIONS OF MOTION; INTEGRATION; MOLECULAR DYNAMICS; STABILITY;

COLLISION VERLET; MIXED HARD CORE CONTINOUS POTENTIALS; MOLECULAR DYNAMICS ALGORITHM; OPERATOR SPLITTING TECHNIQUES;

ELECTRON TRANSPORT PROPERTIES;

EID: 0034628928     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/002689700162586     Document Type: Article

References (16)

1. Alder, B. J., and Wainwright, T. E., 1957, J. chem. Phys., 27, 1208.
2. Verlet, L., 1967, Phys. Rev., 159, 98.
3. Hansen, J. P., and McDonald, I. R., 1986, Theory of Simple Liquids, 2nd Edn (London: Academic Press).
4. Weeks, J. D., Chandler, D., and Anderson, H. C., 1971, J. chem. Phys., 54, 5237.
5. Tuckerman, M., Berne, B. J., and Martyna, G. J., 1992, J. chem. Phys., 97, 1990.
6. Sanz-Serna, J. M., and Calvo, M. P., 1995, Numerical Hamiltonian Problems (New York: Chapman and Hall).
7. Stratt, R. M., Holmgren, S. L., and Chandler, D., 1981, Molec. Phys., 42, 1233.
8. McNeil, W. J., and Madden, W. G., 1982, J. chem. Phys., 76, 6221.
9. Heyes, D. M., 1982, Chem. Phys., 69, 166.
10. Suh, S.-H., Teran, M.-Y., White, H. S., and Davis, H. T., 1990, Chem. Phys., 142, 203.
11. Swope, W. C., Anderson, H. C., Berens, P. H., and Wilson, K. R., 1982, J. chem. Phys., 76, 637.
12. Tildesley, D. J., Street, W. B., and Saville, G., 1978, Molec. Phys., 35, 639.
13. Windemuth, A., Grubmuller, H., Heller, H., and Schulten, K., 1991, Molec. Simulation, 6, 121.
14. Skeel, R. D., and Biesidecki, J., 1994, Ann. numerical Math., 1, 191.
15. Press, W. H., Teukolsky, S. A., Vetterling, W. T., and Flannery, B. P., 1992, Numerical Recipes in Fortran (Cambridge University Press).
16. Allen, M. A., and Tildesley, D. J., 1987, Computer Simulation of Liquids (Oxford: Clarendon Press).