A new semiclassical dynamics from the interaction representation

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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 languageEnglish (US)
Pages (from-to)1093-1100
Number of pages8
JournalJournal of Theoretical and Computational Chemistry
Volume4
Issue number4
DOIs
StatePublished - Dec 1 2005
Externally publishedYes

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Keywords

  • Exact propagator
  • Gaussian wavepacket
  • Semiclassical

ASJC Scopus subject areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics

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