The Langevin Equation for Generalized Coordinates

Lecture Notes in Computational Science and Engineering

Volumn 49, Issue , 2006, Pages 155-165

  Akkermans, Reinier L C ^a  

^a Accelrys Limited UK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SCIENCE;

CANONICAL TRANSFORMATION; CARTESIAN COORDINATE; FORCE CORRELATIONS; GENERALIZED COORDINATES; GENERALIZED LANGEVIN EQUATION; LANGEVIN EQUATION; POINT TRANSFORMATIONS; PROJECTION OPERATOR;

EQUATIONS OF MOTION;

EID: 46149104047     PISSN: 14397358     EISSN: None     Source Type: Book Series    
DOI: 10.1007/3-540-31618-3_10     Document Type: Article

References (17)

1. Evans, D. J., Morriss, G. P.: Statistical Mechanics of Nonequilibrium Liquids. Academic Press, London (1990)
2. Gardiner, C. W.: Handbook of Stochastic Methods for Physics, Chemistry and the Natural Sciences. Springer Series in Synergetics, 13. Springer-Verlag, Heidelberg (2004).
3. Grabert, H.: Projection operator techniques in nonequilibrium statistical mechanics. Springer-Verlag, Berlin (1982)
4. Karttunen, M., Vattulainen, I., Lukkarinen, A. (Eds.): Novel Methods in Soft Matter Simulations. Lecture Notes in Physics, 640. Springer-Verlag, Heidelberg (2004)
5. Louis, A. A.: Beware of density dependent pair potentials. J. Phys.: Condens. Matter, 14, 9187-9206 (2002)
6. Akkermans, R. L. C., Briels, W. J.: A structure-based coarse-grained model for polymer melts. J. Chem. Phys., 114, 1020-1032 (2001)
7. Akkermans, R. L. C., Briels, W. J.: Coarse-grained interactions in polymer melts: a variational approach. J. Chem. Phys., 115, 6210-6219 (2001)
8. Akkermans, R. L. C., Briels, W. J.: Coarse-grained dynamics of one chain in apolymer melt. J. Chem. Phys., 113, 6409-6422 (2000)
9. den Otter, W. K., Briels, W. J.: The calculation of free-energy differences by constrained molecular-dynamics simulations. J. Chem. Phys., 109, 4139-4146 (1998)
10. Darve, E., Pohorille, A.: Calculating free energies using average force. J. Chem. Phys., 115, 9169-9183 (2001)
11. Schlitter, J., Klähn, M.: The free energy of a reaction coordinate at multiple constraints: a concise formulation. Mol. Phys., 101, 3439-3443 (2003)
12. Deutch, J. M., Oppenheim, I.: Molecular theory of Brownian motion for several particles. J. Chem. Phys., 54, 3547-3555 (1971)
13. Adelman, S. A.: Generalized Langevin theory for many-body problems in chemical dynamics: The method of partial clamping and formulation of the solute equations of motion in generalized coordinates. J. Chem. Phys., 81, 2776-2788 (1984)
14. Gelin, M. F.: Inertial effects in the Brownian dynamics with rigid constraints. Macromol. Theory Simul., 8, 529-543 (1999)
15. Kerr, W. C., Graham, A. J.: Generalized phase space version of Langevin equations and associated Fokker-Planck equations. Eur. Phys. J. B, 15, 305-311 (2000)
16. Cépas, O., Kurchan, J.: Canonically invariant formulation of Langevin and Fokker-Planck equations. Eur. Phys. J. B, 2, 221-223 (1998)
17. Goldstein, H.: Classical Mechanics. Narosa Publishing House, New Delhi (1996)