INVESTIGATION OF INTERACTION BETWEEN MOLECULES AT MEDIUM DISTANCES .2. PERTURBATIONAL AND MCF CALCULATIONS WITH DIRECTLY INTEGRATED POTENTIALS AND IN MONOPOLE APPROXIMATION

被引:37
作者
OTTO, P [1 ]
LADIK, J [1 ]
机构
[1] FRIEDRICH ALEXANDER UNIV,LEHRSTUHL THEORET CHEM,ERLANGEN,BUNDES REPUBLIK
关键词
D O I
10.1016/0301-0104(77)85132-X
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:209 / 216
页数:8
相关论文
共 7 条
[1]   *UBER EINE APPROXIMATION DES HARTREEFOGKSCHEN POTENTIALS DURCH EINE UNIVERSELLE POTENTIALFUNKTION [J].
GASPAR, R .
ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1954, 3 (3-4) :263-286
[2]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[3]   CL STUDY OF WATER DIMER POTENTIAL SURFACE [J].
MATSUOKA, O ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1351-1361
[4]   THEORY OF INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP [J].
MURRELL, JN ;
RANDIC, M ;
WILLIAMS, DR .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1965, 284 (1399) :566-&
[5]   INVESTIGATION OF INTERACTION BETWEEN MOLECULES AT MEDIUM DISTANCES .1. SCF LCAO MO SUPERMOLECULE, PERTURBATIONAL AND MUTUALLY CONSISTENT CALCULATIONS FOR 2 INTERACTING HF AND CH2O MOLECULES [J].
OTTO, P ;
LADIK, J .
CHEMICAL PHYSICS, 1975, 8 (1-2) :192-200
[6]  
PULAY P, UNPUBLISHED
[7]   A SIMPLIFICATION OF THE HARTREE-FOCK METHOD [J].
SLATER, JC .
PHYSICAL REVIEW, 1951, 81 (03) :385-390