Journal ArticleDOI
The mutual interaction of molecular rotation and translation
TLDR
In this article, the dynamics of molecular rototranslation are treated with an equation of motion with a non-Markovian, stochastic force/torque, and it is shown that this Mori/Kubo/Zwanzig representation is equivalent to a multidimensional Markov equation which may be identified with analytical models of the molecular motion.Abstract:
The dynamics of molecular rototranslation are treated with an equation of motion with a non-Markovian, stochastic force/torque. It is shown that this Mori/Kubo/Zwanzig representation is equivalent to a multidimensional Markov equation which may be identified with analytical models of the molecular motion. Langevin and Fokker-Planck equations for two such models are derived from the general equations of motion. The analytical results are compared with a computer simulation of the velocity/angular velocity mixed autocorrelation function, C vω(t) = for a triatomic of C 2v symmetry.read more
Citations
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Journal ArticleDOI
The rotation-translation coupling in diatomic molecules
TL;DR: In this article, the rotational and translational motions of single diatomic molecules in the liquid state are investigated for both the homo- and heteronuclear cases using computer simulations using the method of molecular dynamics.
Journal ArticleDOI
A generalized Langevin equation for dealing with nonadditive fluctuations
TL;DR: In this paper, a generalized Langevin equation is proposed to describe a non-Hermitian non-Markoffian multiplicative process with the same autocorrelation function as the SLE theory.
Journal ArticleDOI
Computer simulation of liquid anisotropy. V. Nonlinear molecular dynamics at high field strengths
TL;DR: In this paper, a computer simulation method has been used to investigate the molecular dynamics of C2v symmetry asymmetric tops at points along the Langevin function to saturation and predict the results of experiments on laser-induced birefringence.
Journal ArticleDOI
Computer simulation of liquid anisotropy. IV. Terms to second order in the external field of force
TL;DR: In this article, the method of molecular dynamics computer simulation is extended to deal with liquid anisotropy induced by the interaction of an external electric (or magnetic) field with anisotropic of polarizability.
Journal ArticleDOI
Non-Markoffian excitation-relaxation processes
TL;DR: In this paper, it is shown that the Mori theory provides a suitable theoretical framework for the study of excitation-relaxation processes of a non-Markoffian kind, provided that the point of view of Nordholm and Zwanzig be adopted.
References
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Journal ArticleDOI
A Continued-Fraction Representation of the Time-Correlation Functions
TL;DR: In this paper, a continued fraction expansion of the Laplace transform of the time correlation functions is obtained, which enables us to express the generalized susceptibilities and the transport coefficients in terms of the static correlation functions of a set of quantities.
Journal ArticleDOI
Rough hard sphere theory of the self‐diffusion constant for molecular liquids
TL;DR: In this paper, a simple theory based on a hard sphere model is used to calculate the self-diffusion constant and the shear viscosity of liquid carbon tetrachloride.
Journal ArticleDOI
Contributions to Non‐Equilibrium Thermodynamics. I. Theory of Hydrodynamical Fluctuations
Ronald F. Fox,G. E. Uhlenbeck +1 more
TL;DR: In this article, the Langevin equation was used to derive the Navier-Stokes equations for the Brownian motion of a particle of arbitrary shape, and these terms and their correlation properties are presented, and then used to obtain the Lagrangian Lagrangians for linearized hydrodynamical equations, which were first proposed by Landau and Lifshitz.
Journal ArticleDOI
Fokker-Planck equations for simple non-Markovian systems
TL;DR: In this paper, the generalized Fokker-Planck equations are derived from the linear Mori-Kubo generalized Langevin equation for the case of Gaussian but non-Markovian noise.
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