A Fokker–Planck equation for canonical non-Markovian systems: A local linearization approach
- 1 October 1988
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 89 (7) , 4300-4308
- https://doi.org/10.1063/1.454812
Abstract
Correctly renormalized drift coefficients can be straightforwardly derived using the linear version of the generalized Langevin equation and linear reaction potentials (parabolas or inverted parabolas). Recent investigation via computer simulation of molecular dynamics and numerical solution of stochastic differential equations, shows that interesting cases exist where the nonlinear nature of the interaction between reacting system and ‘‘bath’’ and that of the reaction potential must be taken into account. Then it is shown that a Smoluchowski diffusion equation with correctly renormalized drift coefficients can be obtained by adopting a local linearization assumption, which, nevertheless allows the reaction coordinate to ‘‘feel’’ the influence of different transport properties in different regions of the reaction potential. Under the special condition where the system–bath interaction is assumed to be linear, this Smoluchowski equation is shown to coincide with that recently proposed by Okuyama and Oxtoby [J. Chem. Phys. 8 4, 5830 (1986)]. In the case where the renormalization corrections are neglected, this equation coincides with that proposed by our group [Fonseca, P. Grigolini, and D. Pareo, J. Chem. Phys. 8 3, 1039 (1985)].Keywords
This publication has 25 references indexed in Scilit:
- Theory of activated rate processes: A new derivation of Kramers’ expressionThe Journal of Chemical Physics, 1986
- Non-Markovian dynamics and barrier crossing rates at high viscosityThe Journal of Chemical Physics, 1986
- Multiplicative stochastic processes in nonlinear systems. II. Canonical and noncanonical effectsPhysical Review A, 1985
- Theoretical FoundationsAdvances in Chemical Physics, 1985
- Nonlinear Effects in Molecular Dynamics of the Liquid StateAdvances in Chemical Physics, 1985
- Basic Description of the Rules Leading to the Adiabatic Elimination of Fast VariablesAdvances in Chemical Physics, 1985
- Thermally activated escape rate in presence of long-time memoryPhysical Review A, 1982
- The stable states picture of chemical reactions. II. Rate constants for condensed and gas phase reaction modelsThe Journal of Chemical Physics, 1980
- Analysis of nonstationary, Gaussian and non-Gaussian, generalized Langevin equations using methods of multiplicative stochastic processesJournal of Statistical Physics, 1977
- Nonlinear generalized Langevin equationsJournal of Statistical Physics, 1973