화학공학소재연구정보센터
Chemical Physics Letters, Vol.429, No.1-3, 310-316, 2006
Second-order integrators for Langevin equations with holonomic constraints
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. (c) 2006 Elsevier B.V. All rights reserved.