Abstract

The generalized Langevin equation is widely used to model the effective dynamics of chemical, soft or biological systems. It is used to describe the evolution of a small number of collective variables, and is derived using the projection operator formalism. However, the validity of the derivation of the generalized Langevin equation in systems featuring non-linear potential of mean force is presently questioned. In this paper, we rigorously derive, using a two-projection operator formalism, the usual form of the generalized Langevin equation with non-linear potential of mean force and constant memory kernel. We show that the usual fluctuation-dissipation theorem is violated and a modified version should be considered. We also illustrate this violation on a numerical example.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.