DISTORTED ATOMS IN MOLECULES MODEL FOR ORDINARY COVALENT MOLECULES .1. DESCRIPTION OF MODEL - CONNECTION WITH DISTINGUISHABLE ELECTRON METHOD - AND ILLUSTRATIVE APPLICATION TO H2, LIH, AND BEH+

被引:8
作者
KIRTMAN, B [1 ]
CHANG, SY [1 ]
SCOTT, WR [1 ]
机构
[1] UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
关键词
D O I
10.1063/1.1679656
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:3304 / 3314
页数:11
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共 48 条
[11]   PROJECTED HARTREE PRODUCT WAVEFUNCTIONS [J].
GALLUP, GA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1752-&
[12]   PROJECTED HARTREE PRODUCT WAVEFUNCTIONS .2. GENERAL CONSIDERATIONS OF YOUNG OPERATORS [J].
GALLUP, GA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1206-&
[13]  
GALLUP GA, 1969, J CHEM PHYS, V50, P1214
[14]   MANY-ELECTRON-THEORY AB INITIO CALCULATION FOR BE ATOM [J].
GELLER, M ;
TAYLOR, HS ;
LEVINE, HB .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (05) :1727-&
[15]  
GODDARD WA, UNPUBLISHED CALCULAT
[16]   IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .I. CONSTRUCTION OF EIGENFUNCTIONS OF S2 WHICH SATISFY PAULIS PRINCIPLE [J].
GODDARD, WA .
PHYSICAL REVIEW, 1967, 157 (01) :73-&
[17]   IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .2. BASIC METHOD [J].
GODDARD, WA .
PHYSICAL REVIEW, 1967, 157 (01) :81-&
[18]   EXPLICITLY CORRELATED WAVEFUNCTION FOR LIH BY PERTURBATION THEORY [J].
GOODISMAN, J .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) :3540-+
[19]   ORBITAL APPROXIMATION TO SPATIAL EIGENFUNCTIONS OF MANY-ELECTRON HAMILTONIAN [J].
HAMEED, S ;
HUI, SS ;
MUSHER, JI .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :502-&
[20]   INTERCHANGE THEOREMS, ACCESSIBLE CORRELATION EXPRESSIONS, AND PHYSICAL PROPERTIES [J].
HEER, JD ;
KIRTMAN, B .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :4115-&