Self-Consistent Mode-Coupling Theory for Self-Diffusion in Quantum Liquids
- 10 December 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 87 (26) , 265702
- https://doi.org/10.1103/physrevlett.87.265702
Abstract
A closed, self-consistent equation for the velocity autocorrelation function of a quantum liquid within the framework of a quantum mode-coupling theory is derived. The solution of the quantum generalized Langevin equation requires static input which is generated by an appropriate path-integral Monte Carlo scheme. In order to assess the accuracy of our approach we have studied the self-diffusion process of liquid para-hydrogen at two thermodynamic state points. Quantitative agreement for the self-diffusion constant is obtained in comparison to experimental measurements and other theoretical predictions.Keywords
This publication has 20 references indexed in Scilit:
- A Short-Time Quantum Mechanical Expansion Approach to Vibrational RelaxationThe Journal of Physical Chemistry B, 2001
- On the calculation of dynamical properties of solvated electrons by maximum entropy analytic continuation of path integral Monte Carlo dataThe Journal of Chemical Physics, 1996
- Density fluctuations in liquid4He. Path integrals and maximum entropyJournal of Low Temperature Physics, 1996
- Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo dataPhysics Reports, 1996
- Semiclassical Methods in Chemical PhysicsScience, 1986
- Numerical results on the density fluctuations in liquid rubidiumPhysical Review A, 1980
- Kinetic theory of current fluctuations in simple classical liquidsPhysical Review A, 1980
- Kinetic theory of self-motion in monatomic liquidsJournal of Physics C: Solid State Physics, 1979
- Dynamical structure factorof liquid helium II at zero temperaturePhysical Review B, 1976
- Self-consistent second-order approximation for the liquid-helium-II excitation spectrumPhysical Review B, 1976