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Self-consistent mode-coupling theory for self-diffusion in quantum liquids
1Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.
Physical Review Letters
|January 22, 2002
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.