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.
Second-order integrators for Langevin equations with holonomic constraints / Eric Vanden, Eijnden; Ciccotti, Giovanni. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 429:1-3(2006), pp. 310-316. [10.1016/j.cplett.2006.07.086]
Second-order integrators for Langevin equations with holonomic constraints
CICCOTTI, Giovanni
2006
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. (c) 2006 Elsevier B.V. All rights reserved.File allegati a questo prodotto
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