The Fokker–Planck–Langevin model for rotational Brownian motion. I. General theory
- 1 September 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (5) , 2435-2442
- https://doi.org/10.1063/1.440394
Abstract
The rotational Langevin and rotational Fokker–Planck equations form the basis for a model of molecular rotation in fluids (the FPL model). In this article, the general series expressions for the angular velocity–orientation conditional probability densities for linear and for spherical molecules are derived. Contained in the general expansions of the conditional probability densities are correlation functions involving various collections of angular velocity and reorientational variables, including all of the reorientational correlation functions for linear and spherical molecules, and the correlation functions which describe motional modulation of anisotropic spin–rotational interactions in spherical molecules. Expressions for all reorientational correlation functions,correlation times and spectral densities for linear and spherical molecules, and for the correlation time for the anisotropic spin–rotational interactions in spherical molecules are given. A strategy for the computation of the reorientational memory functions associated with the reorientational correlation functions is presented.Keywords
This publication has 14 references indexed in Scilit:
- The Fokker–Planck–Langevin model for rotational Brownian motion. II. Comparison with the extended rotational diffusion model and with observed infrared and Raman band shapes of linear and spherical molecules in fluidsThe Journal of Chemical Physics, 1980
- Correlation times for molecular reorientationMolecular Physics, 1977
- Cumulant expansion of a Fokker–Planck equation: Rotational and translational motion in dense fluidsThe Journal of Chemical Physics, 1976
- Generalized Einstein relations for rotational and translational diffusion of molecules including spinThe Journal of Chemical Physics, 1975
- Nuclear magnetic relaxation in spherical-top molecules undergoing rotational Brownian motionPhysical Review A, 1974
- Rotational Brownian Motion. II. Fourier Transforms for a Spherical Body with Strong InteractionsPhysical Review A, 1973
- Rotational Brownian MotionPhysical Review A, 1972
- On the Calculation of Time Correlation FunctionsAdvances in Chemical Physics, 1970
- Theory of Nuclear Magnetic Relaxation by Spin-Rotational Interactions in LiquidsPhysical Review B, 1963
- The Coupling of Angular Momentum Vectors in MoleculesReviews of Modern Physics, 1951