Site-site direct correlation functions for three popular molecular models of liquid water

Shuangliang Zhao; Yu Liu; Honglai Liu; Jianzhong Wu

doi:10.1063/1.4817784

Site-site direct correlation functions for three popular molecular models of liquid water

The Journal of Chemical Physics ◽

10.1063/1.4817784 ◽

2013 ◽

Vol 139 (6) ◽

pp. 064509 ◽

Cited By ~ 8

Author(s):

Shuangliang Zhao ◽

Yu Liu ◽

Honglai Liu ◽

Jianzhong Wu

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

Molecular Models

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Shear induced asymmetric cross-correlation functions in liquid water: a computer simulation

Physics Letters A ◽

10.1016/0375-9601(90)90440-y ◽

1990 ◽

Vol 149 (5-6) ◽

pp. 328-330 ◽

Cited By ~ 4

Author(s):

M.W. Evans

Keyword(s):

Computer Simulation ◽

Liquid Water ◽

Correlation Functions ◽

Cross Correlation

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Three-point frequency fluctuation correlation functions of the OH stretch in liquid water

The Journal of Chemical Physics ◽

10.1063/1.2883660 ◽

2008 ◽

Vol 128 (10) ◽

pp. 104507 ◽

Cited By ~ 25

Author(s):

Sean Garrett-Roe ◽

Peter Hamm

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

Frequency Fluctuation

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On the absence of sample size effects in the computation of cross-correlation functions in liquid water

Journal of Molecular Liquids ◽

10.1016/0167-7322(89)80038-8 ◽

1989 ◽

Vol 40 (2) ◽

pp. 89-99 ◽

Cited By ~ 2

Author(s):

M.W. Evans ◽

G.C. Lie ◽

E. Clementi

Keyword(s):

Sample Size ◽

Liquid Water ◽

Correlation Functions ◽

Size Effects ◽

Cross Correlation

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Liquid Water: Molecular Correlation Functions from X‐Ray Diffraction

The Journal of Chemical Physics ◽

10.1063/1.1676403 ◽

1971 ◽

Vol 55 (5) ◽

pp. 2263-2269 ◽

Cited By ~ 518

Author(s):

A. H. Narten ◽

H. A. Levy

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

X Ray Diffraction ◽

X Ray ◽

Molecular Correlation

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Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential. II. The effect of internal vibrations on the time correlation functions

Physical Review A ◽

10.1103/physreva.36.3935 ◽

1987 ◽

Vol 36 (8) ◽

pp. 3935-3942 ◽

Cited By ~ 30

Author(s):

M. W. Evans ◽

K. Refson ◽

K. N. Swamy ◽

G. C. Lie ◽

E. Clementi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interaction Potential ◽

Liquid Water ◽

Correlation Functions ◽

Time Correlation ◽

Dynamics Simulation ◽

Time Correlation Functions ◽

Water Interaction ◽

Internal Vibrations

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Molecular Models for Calculation of Dielectric/Far-Infrared Spectra of Liquid Water

Advances in Chemical Physics ◽

10.1002/0471466603.ch2 ◽

2004 ◽

pp. 65-331 ◽

Cited By ~ 8

Author(s):

Vladimir I. Gaiduk ◽

Boris M. Tseitlin

Keyword(s):

Infrared Spectra ◽

Liquid Water ◽

Far Infrared ◽

Molecular Models ◽

Far Infrared Spectra

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An exact a posteriori correction for hydrogen bond population correlation functions and other reversible geminate recombinations obtained from simulations with periodic boundary conditions. Liquid water as a test case

The Journal of Chemical Physics ◽

10.1063/5.0053445 ◽

2021 ◽

Vol 154 (21) ◽

pp. 214501

Author(s):

Johanna Busch ◽

Jan Neumann ◽

Dietmar Paschek

Keyword(s):

Hydrogen Bond ◽

Boundary Conditions ◽

Liquid Water ◽

Correlation Functions ◽

Periodic Boundary ◽

Periodic Boundary Conditions ◽

Test Case ◽

A Posteriori ◽

Bond Population ◽

Population Correlation

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Partial pair correlation functions of liquid water

Physical Review B ◽

10.1103/physrevb.60.11851 ◽

1999 ◽

Vol 60 (17) ◽

pp. 11851-11854 ◽

Cited By ~ 51

Author(s):

László Pusztai

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

Pair Correlation ◽

Pair Correlation Functions

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Triplet correlation functions in liquid water

The Journal of Chemical Physics ◽

10.1063/1.4898755 ◽

2014 ◽

Vol 141 (17) ◽

pp. 174504 ◽

Cited By ~ 19

Author(s):

Debdas Dhabal ◽

Murari Singh ◽

Kjartan Thor Wikfeldt ◽

Charusita Chakravarty

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

Triplet Correlation

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Liquid Water: Atom Pair Correlation Functions from Neutron and X‐Ray Diffraction

The Journal of Chemical Physics ◽

10.1063/1.1677087 ◽

1972 ◽

Vol 56 (11) ◽

pp. 5681-5687 ◽

Cited By ~ 173

Author(s):

A. H. Narten

Keyword(s):

Liquid Water ◽

Correlation Functions ◽

Pair Correlation ◽

X Ray Diffraction ◽

Atom Pair ◽

Pair Correlation Functions ◽

X Ray

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