PADE APPROXIMANTS FOR RADIAL DISTRIBUTION FUNCTIONS OF GAUSSIAN MODEL

被引:2
作者
CARLEY, DD
机构
[1] Department of Physics, Western Michigan University, Kalamazoo
关键词
D O I
10.1063/1.1672585
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Radial distribution functions (g) are computed for the Gaussian model of a fluid by approximating the density expansion with a Fade approximant g (m, n). Several choices of m and n are studied by comparing these calculated g's with those previously obtained using the Percus-Yevick and hypernetted chain integral equations, a Monte Carlo method, and simple truncation of the density expansion. It is found that, if a few terms in the density expansion are known, the range of densities for which this information is useful may be extended by the proper choice of m and n in the Pade approximant. A form of g(m, n) is presented which approximates g quite well for a large range of densities.
引用
收藏
页码:3718 / &
相关论文
共 14 条
[1]  
BAKER G. A., 1965, ADV THEORETICAL PHYS, V1, P1
[2]   RADIAL DISTRIBUTION FUNCTIONS FOR GAUSSIAN MODEL [J].
CARLEY, DD .
PHYSICAL REVIEW, 1964, 136 (1A) :A127-+
[3]  
DEBOER J, 1962, STUDIES STATISTICAL, V1
[4]   CRITICAL SOLUTION BEHAVIOR IN A BINARY MIXTURE OF GAUSSIAN MOLECULES .2. [J].
HELFAND, E ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) :1232-+
[5]   STUDY OF PAIR CORRELATION FUNCTION DIAGRAMS [J].
HELFAND, E ;
KORNEGAY, RL .
PHYSICA, 1964, 30 (08) :1481-&
[6]  
Hill T. L., 1956, STATISTICAL MECHANIC
[7]  
HIRSCHFELDER JO, 1954, MOLECULAR THEORY GAS
[8]  
Pad? H., 1892, ANN SCI ECOLE NORM S, V9, P1
[9]  
REE RH, 1964, J CHEM PHYS, V40, P939
[10]   CRITICAL SOLUTION BEHAVIOR IN BINARY MIXTURE OF GAUSSIAN MOLECULES [J].
STILLINGER, FH ;
HELFAND, E .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) :2495-&