Modified hypernetted chain approximation for a two component charged hard sphere system

1984 ◽  
Vol 81 (9) ◽  
pp. 4093-4096 ◽  
Author(s):  
C. Caccamo ◽  
G. Malescio ◽  
L. Reatto
Author(s):  
Felipe Carvalho ◽  
João Pedro Braga

Establishment of the radial distribution function by solving the Ornstein-Zernike equation is still an important problem, even more than a hundred years after the original paper publication. New strategies and approximations are common in the literature. A crucial step in this process consists in defining a closure relation which retrieves correlation functions in agreement with experiments or molecular simulations. In this paper, the functional Taylor expansion, as proposed by J. K. Percus, is applied to introduce two new closure relations: one that modifies the Percus‑Yevick closure relation and another one modifying the Hypernetted-Chain approximation. These new approximations will be applied to a hard sphere system. An improvement for the radial distribution function is observed in both cases. For some densities a greater accuracy, by a factor of five times compared to the original approximations, was obtained.


1990 ◽  
Vol 175 (1-2) ◽  
pp. 111-116 ◽  
Author(s):  
José Alejandre ◽  
Marcelo Lozada-Cassou ◽  
Enrique González-Tovar ◽  
Gustavo A. Chapela

1975 ◽  
Vol 25 (4) ◽  
pp. 593-615 ◽  
Author(s):  
S. Fantoni ◽  
S. Rosati

1976 ◽  
Vol 63 (3) ◽  
pp. 269-272 ◽  
Author(s):  
E. Krotscheck ◽  
K. Takahashi

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