A CORRELATION POTENTIAL FOR MOLECULAR-SYSTEMS FROM THE SINGLE-PARTICLE GREEN-FUNCTION

被引:16
作者
HOLLEBOOM, LJ
SNIJDERS, JG
BAERENDS, EJ
BUIJSE, MA
机构
关键词
D O I
10.1063/1.454884
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 ;
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页码:3638 / 3653
页数:16
相关论文
共 27 条
[1]  
BUIJSE MA, UNPUB PHYS REV A
[2]   ELECTRONIC MOLECULAR-PROPERTIES BY MANY-BODY GREENS FUNCTION METHOD - LIH AND H2O [J].
CARRAVETTA, V ;
MOCCIA, R .
MOLECULAR PHYSICS, 1978, 35 (01) :129-144
[3]  
Cederbaum L. S., 1977, ADV CHEM PHYS, V36, P205, DOI DOI 10.1002/9780470142554.ch4
[4]  
Csanak G., 1971, ADV ATOM MOL OPT PHY, V7, P287
[5]   EXTENSION OF KOOPMANS THEOREM .2. ACCURATE IONIZATION ENERGIES FROM CORRELATED WAVEFUNCTIONS FOR CLOSED-SHELL ATOMS [J].
DAY, OW ;
SMITH, DW ;
MORRISON, RC .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (01) :115-119
[6]   MANY-BODY GREENS FUNCTIONS FOR FINITE, NONUNIFORM SYSTEMS - APPLICATIONS TO CLOSED SHELL ATOMS [J].
DOLL, JD ;
REINHARD.WP .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1169-&
[7]  
DONNELLY RA, 1981, INT J QUANTUM CHEM S, V15, P40
[9]   CALCULATIONS OF IONIZATION ENERGIES AND ELECTRON AFFINITIES BY MEANS OF ONE PARTICLE GREENS FUNCTION [J].
ECKER, F ;
HOHLNEIC.G .
THEORETICA CHIMICA ACTA, 1972, 25 (03) :289-&
[10]  
Fetter A L, 1971, QUANTUM THEORY MANY