DENSITY FUNCTIONAL THEORY OF NONUNIFORM POLYATOMIC SYSTEMS .1. GENERAL FORMULATION

被引:399
作者
CHANDLER, D [1 ]
MCCOY, JD [1 ]
SINGER, SJ [1 ]
机构
[1] UNIV PENN, DEPT CHEM, PHILADELPHIA, PA 19104 USA
关键词
D O I
10.1063/1.451510
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
引用
收藏
页码:5971 / 5976
页数:6
相关论文
共 36 条
[1]   OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS [J].
CHANDLER, D ;
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1930-+
[2]   EXPLOITING THE ISOMORPHISM BETWEEN QUANTUM-THEORY AND CLASSICAL STATISTICAL-MECHANICS OF POLYATOMIC FLUIDS [J].
CHANDLER, D ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :4078-4095
[3]   STATISTICAL-MECHANICS OF CHEMICAL-EQUILIBRIA AND INTRAMOLECULAR STRUCTURES OF NONRIGID MOLECULES IN CONDENSED PHASES [J].
CHANDLER, D ;
PRATT, LR .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (08) :2925-2940
[4]  
Chandler D., 1982, STUDIES STATISTICAL, V8, P275
[5]   INTERACTION SITE MODELS FOR MOLECULAR FLUIDS [J].
CUMMINGS, PT ;
STELL, G .
MOLECULAR PHYSICS, 1982, 46 (02) :383-426
[6]   NEW PHASE-TRANSITION PHENOMENA IN THIN ARGON FILMS [J].
EBNER, C ;
SAAM, WF .
PHYSICAL REVIEW LETTERS, 1977, 38 (25) :1486-1489
[7]   A MOLECULAR THEORY FOR THE FREEZING OF HARD-SPHERES [J].
HAYMET, ADJ .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4641-4648
[8]   A MOLECULAR THEORY FOR THE SOLID-LIQUID INTERFACE [J].
HAYMET, ADJ ;
OXTOBY, DW .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2559-2565
[9]   ORIENTATIONAL FREEZING IN 3 DIMENSIONS [J].
HAYMET, ADJ .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1985, 75 (1-3) :79-84
[10]   THE INTERIONIC POTENTIAL OF MEAN FORCE IN A MOLECULAR POLAR-SOLVENT FROM AN EXTENDED RISM EQUATION [J].
HIRATA, F ;
ROSSKY, PJ ;
PETTITT, BM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :4133-4144