Generalized Langevin dynamics simulations with arbitrary time-dependent memory kernels
- 15 March 1983
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (6) , 3256-3261
- https://doi.org/10.1063/1.445244
Abstract
An algorithm is described that allows dynamical simulations to be performed based on generalized Langevin equations with arbitrary, time‐dependent memory kernels. Test simulations show that good results are obtained for kernels with distinctly different forms (e.g., exponential and Gaussian).Keywords
This publication has 14 references indexed in Scilit:
- Molecular dynamics with stochastic boundary conditionsChemical Physics Letters, 1982
- Generalized Langevin models and condensed-phase chemical reaction dynamicsThe Journal of Physical Chemistry, 1982
- Algorithms for brownian dynamicsMolecular Physics, 1982
- Memory kernels from molecular dynamicsThe Journal of Chemical Physics, 1981
- Stochastic dynamics for molecules with constraintsMolecular Physics, 1981
- Dynamics of gas–solid interactions: Calculations of energy transfer and stickingThe Journal of Chemical Physics, 1977
- Computer "Experiments" on Classical Fluids. III. Time-Dependent Self-Correlation FunctionsPhysical Review A, 1970
- Statistical Error Due to Finite Time Averaging in Computer ExperimentsPhysical Review B, 1969
- Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones MoleculesPhysical Review B, 1967
- On the Theory of the Brownian Motion IIReviews of Modern Physics, 1945