Quantum dissipative dynamics: A numerically exact methodology

Research output: Contribution to journalReview article

Abstract

A fully quantum mechanical methodology for simulating the time evolution of low-dimensional systems in harmonic dissipative environments is presented. The key features of the method are the numerical construction of accurate propagators based on physically motivated reference Hamiltonians and the decomposition of the path integral into a series of shorter time operations, which leads to an iterative algorithm. Illustrative applications to barrier-crossing events and biological electron transfer are presented.

Original languageEnglish (US)
Pages (from-to)4414-4427
Number of pages14
JournalJournal of Physical Chemistry A
Volume102
Issue number24
DOIs
StatePublished - Jun 11 1998

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Hamiltonians
methodology
Decomposition
Electrons
electron transfer
harmonics
decomposition
propagation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Quantum dissipative dynamics : A numerically exact methodology. / Makri, Nancy.

In: Journal of Physical Chemistry A, Vol. 102, No. 24, 11.06.1998, p. 4414-4427.

Research output: Contribution to journalReview article

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