| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389951 | Chemical Physics Letters | 2006 | 7 Pages |
Abstract
We propose a numerical scheme for the integration of the Langevin equation which is second-order accurate. More importantly, we indicate how to generalize this scheme to situations where holonomic constraints are added and show that the resulting scheme remains second-order accurate.
Graphical abstractWe propose a numerical scheme for the integration of the Langevin equation which is second-order accurate. More importantly, we indicate how to generalize this scheme to situations where holonomic constraints are added and show that the resulting scheme remains second-order accurate.Download full-size image
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Eric Vanden-Eijnden, Giovanni Ciccotti,