Quantum dynamics via a time propagator in Wigner’s phase space

We derive an expression for a short-time phase space propagator. We use it in a new propagation scheme and demonstrate that it works for a Morse potential. The propagation scheme is used to propagate classical distributions which do not obey the Heisenberg uncertainty principle. It is shown that the...

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Veröffentlicht in:The Journal of chemical physics 1995-04, Vol.102 (13), p.5387-5395
Hauptverfasser: Gro/nager, Michael, Henriksen, Niels Engholm
Format: Artikel
Sprache:eng
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Zusammenfassung:We derive an expression for a short-time phase space propagator. We use it in a new propagation scheme and demonstrate that it works for a Morse potential. The propagation scheme is used to propagate classical distributions which do not obey the Heisenberg uncertainty principle. It is shown that the simple classical deterministic motion breaks down surprisingly fast in an anharmonic potential. Finally, we discuss the possibility of using the scheme as a useful approach to quantum dynamics in many dimensions. To that end we present a Monte Carlo integration scheme using the norm of the propagator as a part of the sampling function.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.469266