Structure factor and direct correlation function of a fluid from finite range simulation data

1984 ◽  
Vol 81 (12) ◽  
pp. 6140-6145 ◽  
Author(s):  
S. M. Foiles ◽  
N. W. Ashcroft ◽  
L. Reatto
Keyword(s):  
Correlation Function ◽  
Structure Factor ◽  
Direct Correlation Function ◽  
Finite Range ◽  
Simulation Data

Structure factor and direct correlation function for a classical hard sphere fluid

1967 ◽  
Vol 297 (1450) ◽  
pp. 336-350 ◽  
Keyword(s):  
Correlation Function ◽  
Structure Factor ◽  
Hard Sphere ◽  
Hard Core ◽  
Liquid Argon ◽  
General Character ◽  
Exact Results ◽  
Direct Correlation Function ◽  
Hard Sphere Fluid

Calculations are reported here of the structure factor S(k) and the direct correlation function C(k) = 1 - S -1 for a classical hard sphere fluid. Exact results are presented to order of the cube in the density ρ and are compared with the results of the various approximate theories, namely the Born-Green, the Percus-Yevick, and the hyperchain. The results have the general character of the observed scattering from liquid argon, though some corrections are required to account for the form of the interaction beyond the hard core.

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

The Specific Heat of Liquid Metals

1991 ◽  
Vol 46 (5) ◽  
pp. 416-418
Author(s):  
K. N. Khanna ◽  
Abdul Quayoum
Keyword(s):  
Correlation Function ◽  
Specific Heat ◽  
Reference System ◽  
Hard Sphere ◽  
Random Phase Approximation ◽  
Liquid Metals ◽  
Random Phase ◽  
Direct Correlation Function ◽  
Phase Approximation ◽  
Semi Empirical

AbstractThe specific heat of liquid metals is calculated using a fluid of Percus-Yevick plus tail as a reference system together with the Cumming potential in a random-phase approximation. It is shown that the improved semi-empirical hard sphere direct correlation function proposed by Colot et al. leads to a drastic improvement of Cp values over the HS model

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