Analytic continuation for quantum nonadiabatic rate constants

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

doi:10.1063/1.1535214

Analytic continuation for quantum nonadiabatic rate constants

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

School of Chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	457-460
Number of pages	4
Journal	Journal of Chemical Physics
Volume	118
Issue number	2
DOIs	https://doi.org/10.1063/1.1535214
State	Published - 8 Jan 2003

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10.1063/1.1535214

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Analytic continuation for quantum nonadiabatic rate constants

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