dorsal/arxiv
View SchemaLong-time and unitary properties of semiclassical initial value representations
| Authors | C. Harabati, J. M. Rost, F. Grossmann |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0309086 |
| URL | https://arxiv.org/abs/quant-ph/0309086 |
| DOI | 10.1063/1.1630033 |
| Journal | J. Chem. Phys., Vol. 120, No. 1, 1 January 2004 |
Abstract
We numerically compare the semiclassical ``frozen Gaussian'' Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian'' propagator put forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by studying the quantum dynamics in some nonlinear one-dimensional potentials. The reasons for the lack of long time accuracy and norm conservation in the latter method are uncovered. We amend the thawed Gaussian propagator with a global harmonic approximation for the stability of the trajectories and demonstrate that this revised propagator is a true alternative to the Herman-Kluk propagator with similar accuracy.
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"abstract": "We numerically compare the semiclassical ``frozen Gaussian\u0027\u0027 Herman-Kluk\npropagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian\u0027\u0027 propagator\nput forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by\nstudying the quantum dynamics in some nonlinear one-dimensional potentials. The\nreasons for the lack of long time accuracy and norm conservation in the latter\nmethod are uncovered. We amend the thawed Gaussian propagator with a global\nharmonic approximation for the stability of the trajectories and demonstrate\nthat this revised propagator is a true alternative to the Herman-Kluk\npropagator with similar accuracy.",
"arxiv_id": "quant-ph/0309086",
"authors": [
"C. Harabati",
"J. M. Rost",
"F. Grossmann"
],
"categories": [
"quant-ph"
],
"doi": "10.1063/1.1630033",
"journal_ref": "J. Chem. Phys., Vol. 120, No. 1, 1 January 2004",
"title": "Long-time and unitary properties of semiclassical initial value representations",
"url": "https://arxiv.org/abs/quant-ph/0309086"
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