Dynamics and relaxation in interacting systems: Semigroup methods

Ronnie Kosloff, Mark A. Ratner, William B. Davis

Research output: Contribution to journalArticlepeer-review

68 Citations (Scopus)

Abstract

The dynamical study of chemical systems whose evolution is governed by quantum mechanics can now be computed fairly effectively for small systems in which the evolution is entirely Hamiltonian. When such Hamiltonian systems interact with their environment, however, relaxation and dephasing terms are introduced into the evolution. To include the effect of these terms, several methods are in current use. This paper is devoted to an exposition, analysis, and several simple applications of the semigroup technique for dealing with these non-Hamiltonian evolution terms. We discuss the nature of the semigroup terms, how they arise and how they are applied, and some of their advantages and disadvantages compared to other methods including dissipation. Specific applications to three simple two-site problems are given.

Original languageEnglish
Pages (from-to)7036-7043
Number of pages8
JournalJournal of Chemical Physics
Volume106
Issue number17
DOIs
Publication statusPublished - May 1 1997

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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