AB-INITIO CONFIGURATION INTERACTION STUDIES OF PI-ELECTRON STATES OF BENZENE

被引:182
作者
HAY, PJ
SHAVITT, I
机构
[1] BATTELLE MEM INST, COLUMBUS, OH 43201 USA
[2] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
关键词
D O I
10.1063/1.1681456
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:2865 / 2877
页数:13
相关论文
共 99 条
[1]   MOLECULAR PHOTOELECTRON SPECTROSCOPY .2. SUMMARY OF IONIZATION POTENTIALS [J].
ALJOBOURY, MI ;
TURNER, DW .
JOURNAL OF THE CHEMICAL SOCIETY, 1964, (NOV) :4434-&
[2]   CIRCULAR-DICHROISM OF AN OPTICALLY-ACTIVE BENZENE CHROMOPHORE-1-METHYLINDAN [J].
ALLEN, SD ;
SCHNEPP, O .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :4547-4556
[3]   Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene [J].
Asbrink, L. ;
Lindholm, E. ;
Edqvist, O. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (09) :609-612
[4]   The electronic structure of benzene [J].
Asbrink, L. ;
Edqvist, O. ;
Lindholm, E. ;
Selin, L. E. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (04) :192-194
[5]   First allowed triplet-triplet transition in benzene [J].
Astier, R. ;
Meyer, Y. H. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (06) :399-401
[6]   MOLECULAR PHOTOELECTRON SPECTROSCOPY .7. VERTICAL IONISATION POTENTIALS OF BENZENE AND SOME OF ITS MONOSUBSTITUTED AND 1,4-DISUBSTITUTED DERIVATIVES [J].
BAKER, AD ;
MAY, DP ;
TURNER, DW .
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1968, (01) :22-&
[7]  
BAKER AD, 1968, INT J MASS SPECTROM, V1, P443
[8]   MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE [J].
BENDER, CF ;
SCHAEFER, HF ;
GODDARD, WA ;
DUNNING, TH ;
HUNT, WJ .
CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :171-&
[9]   Assignment of two electronic states of benzene [J].
Birks, J. B. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (08) :567-568
[10]  
BIRKS J B, 1970, P704