(Q58200984)

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

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19449906%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

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

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19449906%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

Martin H Müser

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28 January 2020

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Alejandro Pérez

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28 January 2020

Mark E Tuckerman

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28 January 2020

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1 May 2009

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28 January 2020

Journal of Chemical Physics

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28 January 2020

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28 January 2020

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28 January 2020

184105

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28 January 2020

Space-Time Approach to Non-Relativistic Quantum Mechanics

1 reference

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Path integrals in the theory of condensed helium

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

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

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

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Quantum mode-coupling theory: formulation and applications to normal and supercooled quantum liquids

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Molecular hydrodynamic approach to dynamical correlations in quantum liquids

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A fully self-consistent treatment of collective fluctuations in quantum liquids

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

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The formulation of quantum statistical mechanics based on the Feynman path centroid density. II. Dynamical properties

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Evaluation of quantum correlation functions from classical data: Anharmonic models

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Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics

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On the short-time limit of ring polymer molecular dynamics

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

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On the Simulation of Quantum Systems: Path Integral Methods

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

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21 January 2018

Transport properties of normal liquid helium: comparison of various methodologies.

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

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Quantum dynamics in the highly discrete, commensurate Frenkel Kontorova model: A path-integral molecular dynamics study

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Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals

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Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids

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Effective classical partition functions

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21 January 2018

Semiclassical approximations to quantum dynamical time correlation functions

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21 January 2018

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

1 reference

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21 January 2018

Quantum diffusion in liquid water from ring polymer molecular dynamics.

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21 January 2018

Chemical reaction rates from ring polymer molecular dynamics.

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21 January 2018

Reversible multiple time scale molecular dynamics

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21 January 2018

Dissipative particle dynamics: a useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations.

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A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables

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21 January 2018

System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions

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21 January 2018

How would you integrate the equations of motion in dissipative particle dynamics simulations?

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21 January 2018

Identifiers

10.1063/1.3126950

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19449906%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19449906%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

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