(Q40071454)

17 September 2017

title

An efficient ring polymer contraction scheme for imaginary time path integral simulations (English)

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17 September 2017

Thomas E Markland

1

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David Manolopoulos

object named as

David E Manolopoulos

series ordinal

2

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language of work or name

English

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publication date

1 July 2008

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Journal of Chemical Physics

17 September 2017

published in

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17 September 2017

volume

129

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17 September 2017

issue

2

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17 September 2017

page(s)

024105

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

17 September 2017

cites work

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A quantum‐statistical Monte Carlo method; path integrals with boundary conditions

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

On the short-time limit of ring polymer molecular dynamics

21 January 2018

1 reference

The Activated Complex in Chemical Reactions

21 January 2018

1 reference

Chemical reaction rates from ring polymer molecular dynamics.

21 January 2018

1 reference

Proton transfer in a polar solvent from ring polymer reaction rate theory

21 January 2018

1 reference

Quantum diffusion in liquid water from ring polymer molecular dynamics.

21 January 2018

1 reference

Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems

21 January 2018

1 reference

Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals

21 January 2018

1 reference

Molecular-dynamics study of atomic motions in water

21 January 2018

1 reference

Water properties from first principles: simulations by a general-purpose quantum mechanical polarizable force field

21 January 2018

1 reference

Molecular dynamics simulations at constant pressure and/or temperature

21 January 2018

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Path integrals in the theory of condensed helium

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2953308

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17 September 2017

1 reference