title: Quantum dynamics in simple fluids.
abstract: We use quantum-correction factors to calculate approximately the quantum velocity time-correlation function (TCF) of supercritical Lennard-Jones argon from the classical TCF. We find that for this quite classical system, several different quantum-correction schemes yield essentially identical results for the real and imaginary parts of the quantum TCF, and also agree well with the recent forward-backward semiclassical dynamics (FBSD) results of Wright and Makri [J. Chem. Phys. 119, 1634 (2003)]. We also consider a more quantum-mechanical fluid of lighter atoms (neon) at a lower temperature. In this case different quantum-correction schemes give different results. FBSD calculations show that the harmonic quantum correction factor works the best for this system
authors.affiliation: Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706, USA.
authors.forename: C P
authors.initials: CP
authors.lastname: Lawrence
authors.forename: A
authors.initials: A
authors.lastname: Nakayama
authors.forename: N
authors.initials: N
authors.lastname: Makri
authors.forename: J L
authors.initials: JL
authors.lastname: Skinner