Abstract
This paper develops a new semiclassical mechanics from an exact quantum prescription. In this formulation, a zeroth order propagation, rather than Hamiltonian, is specified. The exact, full evolution operator is then given from a specific interaction representation of the evolved "perturbation" Hamiltonian. We then investigate a variety of approximate, semiclassical, and mixed Quantum/Classical methods, along with exact methodologies to evaluate this time dependent interaction Hamiltonian. The approximate full evolution operator can be described in a variety of ways including an iterated Lippman-Schwinger like equation, and an expansion of the perturbation propagator generated from the time evolved Hamiltonian.
Original language | English (US) |
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Pages (from-to) | 1093-1100 |
Number of pages | 8 |
Journal | Journal of Theoretical and Computational Chemistry |
Volume | 4 |
Issue number | 4 |
DOIs | |
State | Published - Dec 2005 |
Externally published | Yes |
Keywords
- Exact propagator
- Gaussian wavepacket
- Semiclassical
ASJC Scopus subject areas
- Computer Science Applications
- Physical and Theoretical Chemistry
- Computational Theory and Mathematics