Erratum: “Direct correlation function for the square-well potential” [J. Chem. Phys. 127, 164504 (2007)]

2010 ◽  
Vol 133 (11) ◽  
pp. 119903 ◽  
Author(s):  
Yiping Tang
Keyword(s):  
Correlation Function ◽  
Chem Phys ◽  
Direct Correlation Function ◽  
Square Well

SQUARE-WELL FLUID AT LOW DENSITIES

1967 ◽  
Vol 45 (12) ◽  
pp. 3959-3978 ◽  
Author(s):  
J. A. Barker ◽  
D. Henderson
Keyword(s):  
Distribution Function ◽  
Correlation Function ◽  
Critical Temperature ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Virial Coefficients ◽  
Hard Core ◽  
Direct Correlation Function ◽  
Virial Series ◽  
Square Well

Values for the radial distribution function and the direct correlation function at low densities and for the first five virial coefficients are obtained for a fluid of molecules interacting according to the square-well potential when the width of the attractive well is half the radius of the hard core. It is found that the higher-order coefficients are surprisingly large and, as a result, the virial series fails to converge even at temperatures and volumes significantly greater than the critical temperature and volume. Comparisons of these exact virial coefficients with those given by several approximate theories are made. Values are also given for the first five virial coefficients when the width of the attractive well is equal to the radius of the hard core.

Perturbation version of the Percus–Yevick equation: the square-well potential

1978 ◽  
Vol 56 (6) ◽  
pp. 721-726 ◽  
Author(s):  
R. V. Gopala Rao ◽  
R. N. Joarder
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Correlation Function ◽  
Hard Sphere ◽  
Direct Correlation Function ◽  
Static Structure ◽  
Structure Factors ◽  
Perturbation Potential ◽  
Square Well ◽  
Molecular Dynamics Results

A perturbation treatment of the direct correlation function for the attractive forces in a fluid with the hard sphere reference system is given and the static structure factors are calculated in the framework of a square-well potential. The compressibility equation of state obtained analytically predicts the pressure very well for a relatively small perturbation potential. All these calculations are compared with Monte Carlo and molecular dynamics results of other workers for this system.

The gas-liquid surface of the penetrable sphere model. II

1978 ◽  
Vol 358 (1694) ◽  
pp. 267-280 ◽  
Keyword(s):  
Surface Tension ◽  
Correlation Function ◽  
Liquid Surface ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Intermolecular Potential ◽  
Direct Correlation Function ◽  
Sphere Model ◽  
One Dimensional

The direct correlation function between two points in the gas-liquid surface of the penetrable sphere model is obtained in a mean-field approximation. This function is used to show explicitly that three apparently different ways of calculating the surface tension all lead to the same result. They are (1) from the virial of the intermolecular potential, (2) from the direct correlation function, and (3) from the energy density. The equality of (1) and (2) is shown analytically at all temperatures 0 < T < T c where T c is the critical temperature; the equality of (2) and (3) is shown analytically for T ≈ T c , and by numerical integration at lower temperatures. The equality of (2) and (3) is shown analytically at all temperatures for a one-dimensional potential.

Ornstein–Zernike equation for the direct correlation function with a Yukawa tail

1975 ◽  
Vol 62 (11) ◽  
pp. 4247-4259 ◽  
Author(s):  
Douglas Henderson ◽  
George Stell ◽  
Eduardo Waisman
Keyword(s):  
Correlation Function ◽  
Direct Correlation Function
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