Radial Distribution Function for Argon: Calculations from Thermodynamic Properties and the Lennard‐Jones 6:12 Potential

1971 ◽  
Vol 54 (11) ◽  
pp. 4616-4625 ◽  
Author(s):  
Bruce W. Davis
Keyword(s):  
Distribution Function ◽  
Thermodynamic Properties ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Lennard Jones

A new method of solving the Born-Green equation for the radial distribution function

1952 ◽  
Vol 210 (1103) ◽  
pp. 509-517 ◽  
Keyword(s):  
Distribution Function ◽  
Radial Distribution Function ◽  
Numerical Integration ◽  
Potential Function ◽  
Radial Distribution ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones ◽  
Central Molecule ◽  
Close Range

A solution of the Born-Green equation for the radial distribution function may be found as a series in ascending powers of the density. This method is applied to a fluid of rigid spherical molecules, and the results are compared with those which Kirkwood, Maun & Alder obtained by means of numerical integration. For such molecules it is possible to show that the close-range structure at a distance between n and n + 1 diameters from a central molecule is of the order of the density raised to the n th power ( n integral). When the Lennard-Jones potential function is employed, the first and second approximations to the radial distribution function thus obtained are shown to be identical with those resulting from a rigorous development of this function in powers of the density.

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