Computer simulation of liquid anisotropy. V. Nonlinear molecular dynamics at high field strengths
- 15 January 1983
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (2) , 925-930
- https://doi.org/10.1063/1.444796
Abstract
The computer simulation method has been used to investigate the molecular dynamics of C2v symmetry asymmetric tops at points along the Langevin function to saturation. The first order linear/angular velocity correlation function is visible in a moving frame of reference and becomes increasingly oscillatory at high field strengths. A single molecule rototranslational Langevin equation cannot explain these results without involving nonlinear interactions between the molecule and it surroundings. The computer simulation has been used to predict the results of experiments on laser-induced birefringence.Keywords
This publication has 12 references indexed in Scilit:
- Computer simulation of liquid anisotropy. III. Dispersion of the induced birefringence with a strong alternating fieldThe Journal of Chemical Physics, 1982
- Molecular dynamics simulation of liquid anisotropy. II. Rise and fall transients on a picosecond time scaleThe Journal of Chemical Physics, 1982
- Molecular dynamics simulation of induced anisotropy. I. Equilibrium propertiesThe Journal of Chemical Physics, 1982
- A generalization of mori's approach to the non-hermitean case: a new versatile theoretical tool for computational purposesChemical Physics Letters, 1981
- The rotation-translation coupling in diatomic moleculesMolecular Physics, 1981
- Brownian motion with superimposed interaction: cosine potential and molecular dynamics simulationAdvances in Molecular Relaxation and Interaction Processes, 1981
- A model for rotational relaxation and resonanceMolecular Physics, 1981
- The mutual interaction of molecular rotation and translationMolecular Physics, 1980
- Theory of transient response for arbitrarily strong driving fieldsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1980
- An exact treatment for non-linear relaxation processes governed by the rotational Smoluchowski equationJournal of Physics A: General Physics, 1979