Brownian dynamics with constraints

Molecular Physics

Volumn 99, Issue 24, 2001, Pages 2023-2036

  White, Toby O ^a   Ciccotti, Giovanni ^a   Hansen, Jean Pierre ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BROWNIAN MOVEMENT; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); EQUATIONS OF MOTION; NUMERICAL METHODS; RUNGE KUTTA METHODS;

BROWNIAN DYNAMICS; LANGEVIN EQUATION;

MOLECULAR PHYSICS;

EID: 0035924816     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110090854     Document Type: Article

References (21)

1. Nosé, S., 1984, Molec. Phys., 52, 255.
2. Ermak, D. L., 1975, J. chem. Phys., 62, 4189.
3. Ermak, D. L., 1975, J. chem. Phys., 62, 4197.
4. Turq, P., Lantelme, F., and Friedman, H. L., 1977, J. chem. Phys., 66, 3039.
5. Kutter, S., Hansen, J.-P., Sprik, M., and Boek, E., 2000, J. chem. Phys., 112, 311.
6. Fixman, M., 1978, J. chem. Phys., 69, 1527.
7. Allen, M. P., and Tildesley, D. J., 1987, Computer Simulations of Liquids (Oxford University Press) p. 257.
8. Van Gunsteren, W. F., Berendsen, H. J. C., and Rullmann, J. A. C., 1981, Molec. Phys., 44, 69.
9. Helfand, E., 1978, J. chem. Phys., 69, 1010.
10. Helfand, E., 1979, Bell Sys. tech. J., 58, 2289.
11. Greenside, H. S., and Helfand, E., 1981, Bell Sys. tech. J., 60, 1927.
12. Helfand, E., Wasserman, Z. R., and Weber, T. A., 1980, Macromolecules, 13, 526.
13. Klaveness, E., and Elgsaeter, A., 1999, J. chem. Phys., 110, 11608.
14. Abramowitz, M., and Stegun, I. A., 1964, Handbook of Mathematical Functions (Washington, DC: National Bureau of Standards; reprint, 1968, New York: Dover) chap. 25.5.
15. Ryckaert, J.-P., Ciccotti, G., and Berendsen, H. J. C., 1977, J. comput. Phys., 23, 327.
16. Ciccotti, G., and Ferrario, M., 1998, Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Cicotti, and D. F. Coker (Singapore: World Scientific).
17. Ciccotti, G., and Ryckaert, J.-P., 1986, Comput. Phys. Rep., 4, 345.
18. Mori, H., 1965, Progr. theoret. Phys., 33, 423.
19. Mori, H., 1965, Progr. theoret. Phys., 34, 399.
20. Ciccotti, G., and Ryckaert, J.-P., 1981, J. statist. Phys., 26, 73.
21. Ciccotti, G., Ferrario, M., and Ryckaert, J.-P., 1982, Molec. Phys., 46, 875.