(Q43974842)

28 November 2017

title

A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids (English)

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28 November 2017

2

William H Miller

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28 November 2017

Jian Liu

1

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28 November 2017

language of work or name

English

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publication date

1 August 2009

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Journal of Chemical Physics

28 November 2017

published in

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28 November 2017

volume

131

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28 November 2017

issue

7

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28 November 2017

page(s)

074113

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Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water

28 November 2017

cites work

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Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions.

21 January 2018

1 reference

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

21 January 2018

1 reference

Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.

21 January 2018

1 reference

Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

21 January 2018

1 reference

Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

21 January 2018

1 reference

Effective classical partition functions

21 January 2018

1 reference

Quantum dynamics of complex molecular systems

21 January 2018

1 reference

Including quantum effects in the dynamics of complex (i.e., large) molecular systems

21 January 2018

1 reference

On the Quantum Correction For Thermodynamic Equilibrium

21 January 2018

1 reference

Chemical reaction rates from ring polymer molecular dynamics.

21 January 2018

1 reference

Path integrals in the theory of condensed helium

21 January 2018

1 reference

On the Simulation of Quantum Systems: Path Integral Methods

21 January 2018

1 reference

Quantum statistical mechanics with Gaussians: equilibrium properties of van der Waals clusters.

21 January 2018

1 reference

A new time evolving Gaussian series representation of the imaginary time propagator.

21 January 2018

1 reference

The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: application to liquid para-hydrogen

21 January 2018

1 reference

Self-consistent mode-coupling theory for self-diffusion in quantum liquids.

21 January 2018

1 reference

Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics.

21 January 2018

1 reference

A comparative study of imaginary time path integral based methods for quantum dynamics.

21 January 2018

1 reference

Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.

21 January 2018

1 reference

Linearized path integral approach for calculating nonadiabatic time correlation functions

21 January 2018

1 reference

Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4).

21 January 2018

1 reference

A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3202438

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28 November 2017

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