Second-order integrators for Langevin equations with holonomic constraints

Chemical Physics Letters

Volumn 429, Issue 1-3, 2006, Pages 310-316

  Vanden Eijnden, Eric ^a   Ciccotti, Giovanni ^b  

^a NEW YORK UNIVERSITY   (United States)

^b UNIVERSITÀ DI ROMA LA SAPIENZA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CONSTRAINT THEORY; INTEGRATION; NUMERICAL ANALYSIS; PHYSICAL CHEMISTRY; PROBLEM SOLVING;

HOLONOMIC CONSTRAINTS; LANGEVIN EQUATIONS;

LINEAR EQUATIONS;

EID: 33748419763     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.07.086     Document Type: Article

References (9)

1. van Gunsteren W.F., and Berendsen H.J.C. Mol. Phys. 45 (1982) 637
2. Brunger A., Brooks C.L., and Karplus M. Chem. Phys. Lett. 105 (1984) 495
3. Skeel R.D., and Izaguirre J. Mol. Phys. 100 (2002) 3885
4. Wang W., and Skeel R.D. Mol. Phys. 101 (2003) 2149
5. Milstein G.N., and Tretyakov N.V. IMA J. Numer. Anal. 23 (2003) 593
6. Ryckaert J.P., Ciccotti G., and Berendsen H.J.C. J. Comput. Phys. 23 (1977) 327
7. Milstein G.N. Numerical Integration of Stochastic Differential Equations (1995), Kluwer, Dordrecht
8. Kloeden P.E., and Platen E. Numerical Solutions of Stochastic Differential Equations (1992), Springer, Berlin
9. Ricci A., and Ciccotti G. Mol. Phys. 101 (2003) 1927