Perturbation theory for the radial distribution function in the presence of three-body forces

Ram, J. ; Singh, Y. (1977) Perturbation theory for the radial distribution function in the presence of three-body forces Journal of Chemical Physics, 66 (3). pp. 924-933. ISSN 0021-9606

Full text not available from this repository.

Official URL: http://link.aip.org/link/jcpsa6/v66/i3/p924/s1

Related URL: http://dx.doi.org/10.1063/1.434000

Abstract

Perturbation theory is used to consider the effect of the three-body potential on the radial distribution function g (r). We find that the effective pair potential, ueff(1,2) =u (1,2)-kTρFg0(1,3)g0(2,3)f(1,2,3) d3, where g0(i,j) is the true pair potential radial distribution function, is an appropriate model for the study of the effect of the triplet potential on the g (r). Dividing the effective pair potential into repulsive and attractive regions, the radial distribution function of the reference potential is evaluated. It is shown, by calculating the total g (r) for the effective pair potential that, to first order, the effect of the triplet potential on the g (r) is accounted for by its effect on the reference g (r). We find that the effect of the triple-dipole potential on the structure of liquids at low temperatures especially near the triple point is substantial.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:47962
Deposited On:12 Jul 2011 11:26
Last Modified:12 Jul 2011 11:26

Repository Staff Only: item control page