Abstract
Monte Carlo methods are described for evaluating the Feynman path integral representation of the (real time) propagator (time evolution operator), exp(-iHt/ℏ). The approach is based on the modified Filinov algorithm presented earlier by Makri and Miller [Chem. Phys. Lett. 139, 10 (1987)]. Numerical calculations are presented for time evolution in a symmetric double well potential, as well as in a Morse potential.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 2170-2177 |
| Number of pages | 8 |
| Journal | The Journal of Chemical Physics |
| Volume | 89 |
| Issue number | 4 |
| DOIs | |
| State | Published - 1988 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry