(Q46547675)

23 December 2017

title

Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method (English)

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23 December 2017

author name string

Pavel A Frantsuzov

series ordinal

1

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23 December 2017

Vladimir A Mandelshtam

series ordinal

2

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23 December 2017

language of work or name

English

0 references

publication date

1 March 2008

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23 December 2017

Journal of Chemical Physics

published in

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23 December 2017

volume

128

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23 December 2017

issue

9

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23 December 2017

page(s)

094304

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23 December 2017

Improved simulation of liquid water by molecular dynamics

cites work

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

21 January 2018

1 reference

The missing term in effective pair potentials

21 January 2018

1 reference

Molecular-dynamics study of atomic motions in water

21 January 2018

1 reference

Flexible simple point-charge water model with improved liquid-state properties.

21 January 2018

1 reference

Simulating fluid-phase equilibria of water from first principles.

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

Calculation of heat capacities of light and heavy water by path-integral molecular dynamics.

21 January 2018

1 reference

Structure and Stability of Water Clusters (H2O)n,n= 8−20: An Ab Initio Investigation

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

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

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

Solid-solid structural transformations in Lennard-Jones clusters: accurate simulations versus the harmonic superposition approximation.

21 January 2018

1 reference

An intermolecular potential model for the simulation of ice and water near the melting point: A six-site model of H[sub 2]O

21 January 2018

1 reference

The melting temperature of the six site potential model of water

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2833004

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23 December 2017

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23 December 2017