Long-time and unitary properties of semiclassical initial value representations
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
- TUD Dresden University of Technology
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 [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. (C) 2004 American Institute of Physics.
Details
Original language | English |
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Pages (from-to) | 26-30 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 120 |
Issue number | 1 |
Publication status | Published - 1 Jan 2004 |
Peer-reviewed | Yes |
External IDs
Scopus | 0942288578 |
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Keywords
Keywords
- DYNAMICS, APPROXIMATION, STATES, SPACE, ATOM