Abstract
A semiclassical initial value approximation for time-independent wave functions, previously derived for integrable systems, is rederived in a form which allows it to be applied to more general systems. The wave function is expressed as an integral over a Lagrangian manifold that is constructed by propagating trajectories from an initial manifold formed on a Poincaré surface. Even in the case of bound, integrable systems, it is unnecessary to identify action-angle variables or construct quantizing tori. The approximation is numerically tested for separable and highly chaotic two-dimensional quartic oscillator systems. For the separable (but highly anharmonic) system, the accuracy of the approximation is found to be excellent: overlaps of the semiclassical wave functions with the corresponding quantum wave functions exceed 0.999. For the chaotic system, semiclassical-quantum overlaps are found to range from 0.989 to 0.994, indicating accuracy that is still very good, despite the short classical trajectories used in the calculations.
| Original language | English |
|---|---|
| Pages (from-to) | 51-61 |
| Number of pages | 11 |
| Journal | Chemical Physics |
| Volume | 370 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - 12 May 2010 |
Bibliographical note
Funding Information:This work was funded by the Israel Science Foundation .
Funding
This work was funded by the Israel Science Foundation .
| Funders |
|---|
| Israel Science Foundation |
Keywords
- Initial value representation
- Semiclassical approximations
- Semiclassical wave functions
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