A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Application to liquid para-hydrogen

Abstract

The self-consistent quantum mode-coupling theory developed in the preceding paper [J. Chem. Phys. 116, 6271 (2002)] is applied to the study of density fluctuations and transport in liquid para-hydrogen. The method combines exact static input generated by a path-integral Monte Carlo method, and an approximate form of the quantum memory function, for the solution of the exact quantum generalized Langevin equation under consideration. The approach provides exact results for any correlation function at short times, and is expected to provide accurate results at long times. The quantum mode-coupling theory is compared with experimental observations for a variety of dynamical correlations in liquid para-hydrogen. We find that the quantum mode-coupling theory provides quantitative agreement with experiments. Improvement of the methodology and future applications are discussed.