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Quantum dynamics in simple fluids

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 120, Issue: 14, Page: 6621-6624
2004
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Article Description

The quantum-velocity time-correlation function (TCF) of supercritical Lennard-Jones argon was calculated by quantum-correction factors. A more quantum-mechanical fluid of lighter atoms at a lower temperature was also considered. Several different quantum-correction schemes yield identical results for the real and imaginary parts of the quantum TCF for this quite classical system. The results by forward-backward semiclassical dynamics (FBSD) show that the harmonic quantum correction factor works the best for this system.

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