SIGNIFICANCE OF PARISER APPROXIMATION ON 1-CENTER ELECTRON REPULSION INTEGRAL

被引:12
作者
ANNO, T
机构
关键词
D O I
10.1063/1.1701798
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:5335 / &
相关论文
共 15 条
[2]   ON THE EMPIRICAL VALIDITY OF KOOPMANS THEOREM [J].
BIRSS, FW ;
LAIDLAW, WG .
THEORETICA CHIMICA ACTA, 1964, 2 (02) :186-192
[3]   CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&
[4]  
Koopmans T., 1934, PHYSICA, V1, P104, DOI [10.1016/S0031-8914(34)90011-2, DOI 10.1016/S0031-8914(34)90011-2, 10.1016/s0031-8914(34)90011-2]
[5]  
LOWDIN PO, 1959, ADV CHEM PHYS, V2, P207
[6]  
MOORE CE, 1949, 467 NAT BUR STD US C, V1
[7]   SIGMA AND PI CHANGES IN VALENCE STATES OF PI-EECTRON THEORY AND 1-CENTER COULOMB REPULSION PARAMETERS [J].
ORLOFF, MK ;
SINANOGL.O .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) :49-&
[8]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :466-471
[9]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776
[10]   AN IMPROVEMENT IN THE PI-ELECTRON APPROXIMATION IN LCAO MO THEORY [J].
PARISER, R .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :568-569