PARS ORBITAL METHOD .12. ELECTRON LOCALIZATION IN GROUND-STATE AND EXCITED-STATES

被引:9
作者
FRATEV, F [1 ]
OLBRICH, G [1 ]
POLANSKY, OE [1 ]
机构
[1] MAX PLANCK INST COAL RES,INST STRAHLENCHEM,D-4330 MULHEIM,FED REP GER
来源
MONATSHEFTE FUR CHEMIE | 1979年 / 110卷 / 03期
关键词
D O I
10.1007/BF00938355
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:505 / 515
页数:11
相关论文
共 21 条
[1]   CONFIGURATION ANALYSIS IN LCAO MOLECULAR ORBITAL THEORY [J].
BABA, H ;
SUZUKI, S ;
TAKEMURA, T .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (05) :2078-&
[2]   IDENTIFYING LOWEST EXCITED SINGLET STATE OF BIPHENYL AND ITS ANALOGS [J].
BERLMAN, IB .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5616-&
[3]   CORRELATION EFFECTS IN LOW-LYING EXCITED-STATES OF PPP MODELS OF ALTERNANT HYDROCARBONS .1. QUALITATIVE RULES FOR EFFECT OF LIMITED CONFIGURATION INTERACTION [J].
CIZEK, J ;
PALDUS, J ;
HUBAC, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :951-970
[4]   DEFINITION OF CHARACTER ORDERS FOR NONORTHOGONAL AO BASES [J].
DORING, U ;
MARK, F .
CHEMICAL PHYSICS LETTERS, 1977, 46 (03) :509-512
[5]  
FRATEV F, 1974, J MOL STRUCT, V23, P437, DOI 10.1016/0022-2860(74)87012-2
[6]  
FRATEV F, 1975, Z NATURFORSCH A, V30, P1691
[7]   THEORETICAL-STUDY OF MOLECULAR-STRUCTURE IN EXCITED-STATE AND MOLECULAR LUMINESCENCE .3. TYPES OF MOLECULAR-STRUCTURE IN EXCITED PIPI-STAR SINGLET-STATES [J].
FRATEV, F .
JOURNAL OF MOLECULAR STRUCTURE, 1976, 30 (02) :217-223
[8]  
GLEASON AM, 1957, J MATH MECH, V6, P885
[9]  
Golebiewski A., 1974, Acta Physica Polonica A, VA46, P719
[10]  
JULG A, 1971, JERUSALEM S QUANTUM, V3, P383