EXCITED-STATE VARIATIONAL CALCULATIONS WITH ORTHOGONALITY CONSTRAINT

被引:9
作者
BUSTARD, TM
JAFFE, HH
机构
关键词
D O I
10.1063/1.1674021
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:534 / &
相关论文
共 15 条
[1]  
BEVERIDGE DL, PRIVATE COMMUNICATIO
[2]  
BRILLOUIN L, 1934, CHAMPS SELF CONSISTE, P19
[3]  
FLURRY RL, 1968, MOL ORBITAL THEORIES, pCH8
[4]   APPLICABILITY OF ROOTHAANS SELF-CONSISTENT FIELD THEORY [J].
HUZINAGA, S .
PHYSICAL REVIEW, 1960, 120 (03) :866-871
[5]   ANALYTICAL METHODS IN HARTREE-FOCK SELF-CONSISTENT FIELD THEORY [J].
HUZINAGA, S .
PHYSICAL REVIEW, 1961, 122 (01) :131-&
[6]   SPECTRAL RESEMBLANCES OF CATA-CONDENSED HYDROCARBONS [J].
KLEVENS, HB ;
PLATT, JR .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (05) :470-481
[7]   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
[8]   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
[9]  
PARR RG, 1963, QUANTUM THEORY MOLEC, pCH3
[10]  
PERKIN JE, 1965, J MOL SPECTROSC, V15, P407