Analytic continuation for quantum nonadiabatic rate constants

Andrei A. Golosov, David R. Reichman, Eran Rabani

Research output: Contribution to journalArticlepeer-review

Abstract

A method to simulate nonadiabatic rate constants in condensed phases was developed. Such a method was based on a novel path integral representation of the imaginary time flux-flux correlation function. Thus, this representation does not have the standard alternating weight problem that plagues other imaginary time path integral approaches to multistate systems. This paper employs the maximum entropy (MaxEnt) formalism to accomplish the desired continuation.

Original languageEnglish
Pages (from-to)457-460
Number of pages4
JournalJournal of Chemical Physics
Volume118
Issue number2
DOIs
StatePublished - 8 Jan 2003

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