Semiclassical influence functionals for quantum systems in anharmonic environments

Nancy Makri; Keiran Thompson

doi:10.1016/S0009-2614(98)00590-9

Semiclassical influence functionals for quantum systems in anharmonic environments

Nancy Makri, Keiran Thompson

Research output: Contribution to journal › Article › peer-review

Abstract

A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.

Original language	English (US)
Pages (from-to)	101-109
Number of pages	9
Journal	Chemical Physics Letters
Volume	291
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(98)00590-9
State	Published - Jul 10 1998

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Semiclassical influence functionals for quantum systems in anharmonic environments",

abstract = "A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.",

author = "Nancy Makri and Keiran Thompson",

note = "Funding Information: This work has been supported by the David and Lucile Packard Foundation through a Packard Fellowship for Science and Engineering. NM also acknowledges funding through a National Science Foundation Young Investigator Award, a Sloan Research Fellowship, a Cottrell Scholar Award and a Camille Dreyfus Teacher-Scholar Award.",

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AU - Makri, Nancy

AU - Thompson, Keiran

N1 - Funding Information: This work has been supported by the David and Lucile Packard Foundation through a Packard Fellowship for Science and Engineering. NM also acknowledges funding through a National Science Foundation Young Investigator Award, a Sloan Research Fellowship, a Cottrell Scholar Award and a Camille Dreyfus Teacher-Scholar Award.

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Y1 - 1998/7/10

N2 - A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.

AB - A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.

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Semiclassical influence functionals for quantum systems in anharmonic environments

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