A NEW GEOMETRICALLY BASED INTEGRAL-EQUATION HIERARCHY FOR HARD-SPHERESYSTEMS .2. PAIR AND TRIPLET BACKGROUND CORRELATION-FUNCTIONS

Citation
Wr. Smith et al., A NEW GEOMETRICALLY BASED INTEGRAL-EQUATION HIERARCHY FOR HARD-SPHERESYSTEMS .2. PAIR AND TRIPLET BACKGROUND CORRELATION-FUNCTIONS, Molecular physics, 83(6), 1994, pp. 1223-1231
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
83
Issue
6
Year of publication
1994
Pages
1223 - 1231
Database
ISI
SICI code
0026-8976(1994)83:6<1223:ANGBIH>2.0.ZU;2-Z
Abstract
A new exact hierarchy of integral equations is used for the background correlation functions of hard-sphere systems (Labik, S., Malijevsky, A. and Smith, W. R., 1994, Molec. Phys., 83, 983) to calculate the pai r and triplet background correlation functions. Also, a new computer s imulation method is introduced to calculate the derivative of the back ground pair correlation function with respect to distance, and use it to calculate this derivative at the contact distance. These results ar e compared with those of computer simulations and other theories, and it is found that the results using the second-order closure with the h ierarchy are generally quite accurate, and are better than those of al l other theories except the PY3 theory.