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• W1973691489 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." @default.
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• W1973691489 date "2004-03-25" @default.
• W1973691489 modified "2023-10-16" @default.
• W1973691489 title "Quantum dynamics in simple fluids" @default.
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• W1973691489 doi "https://doi.org/10.1063/1.1645783" @default.
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