Pair distribution functions of a binary Yukawa mixture and their asymptotic behavior
Abstract
Based on an analytic solution of the mean spherical model for a binary hard sphere Yukawa mixture, we have examined the pair distribution functions gij(r), focusing, in particular, on two aspects: (i) We present two complementary methods to compute the gij(r) accurately and efficiently over the entire r range. (ii) The poles of the Laplace transforms of the pair distribution functions in the left half of the complex plane close to the origin determine the universal asymptotic behavior of the gij(r). Although the meaning of the role of the subsequent poles-which typically are arranged in two branches-is not yet completely clear, there are strong indications that the distribution pattern of the poles is related to the thermodynamic state of the system.
- Publication:
-
Physical Review E
- Pub Date:
- June 2001
- DOI:
- 10.1103/PhysRevE.63.061110
- Bibcode:
- 2001PhRvE..63f1110T
- Keywords:
-
- 61.20.Gy;
- 61.20.Ne;
- 05.20.-y;
- 02.30.-f;
- Theory and models of liquid structure;
- Structure of simple liquids;
- Classical statistical mechanics;
- Function theory analysis