CLUSTER-EXPANSION OF THE WAVEFUNCTION - VALENCE AND RYDBERG EXCITATIONS AND IONIZATIONS OF ETHYLENE

被引:74
作者
NAKATSUJI, H
机构
关键词
D O I
10.1063/1.447193
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:3703 / 3709
页数:7
相关论文
共 56 条
[1]   MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3EV - N2, CO, C2H4 AND O2 [J].
BANNA, MS ;
SHIRLEY, DA .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 8 (04) :255-270
[2]   NEAR VACUUM UV MAGNETIC CIRCULAR-DICHROISM OF ETHYLENE IN GAS-PHASE [J].
BRITHLINDNER, M ;
ALLEN, SD .
CHEMICAL PHYSICS LETTERS, 1977, 47 (01) :32-35
[3]   N(1AG), T(3B1U), AND V(1B1U) STATES OF VERTICAL ETHYLENE [J].
BROOKS, BR ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (11) :4839-4847
[4]   POTENTIAL-ENERGY AND DIPOLE-MOMENT SURFACES FOR SIMULTANEOUS TORSION AND PYRAMIDALIZATION OF ETHYLENE IN ITS LOWEST-LYING SINGLET EXCITED-STATES - A CL STUDY OF THE SUDDEN POLARIZATION EFFECT [J].
BUENKER, RJ ;
BONACICKOUTECKY, V ;
POGLIANI, L .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1836-1849
[5]   COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
KAMMER, WE .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :814-+
[6]   MRD-CI STUDY OF THE VERTICAL 1(PI, PI-STAR) V-N TRANSITION OF ETHYLENE USING AN AO-BASIS WITH OPTIMIZED RYDBERG ND-PI-SPECIES AND 2 SEPARATE CARBON-D POLARIZATION FUNCTIONS [J].
BUENKER, RJ ;
SHIH, SK ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS, 1979, 36 (01) :97-111
[7]   ABINITIO STUDY OF THE SPATIAL EXTENSION OF THE ETHYLENE V-STATE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
SHIH, SK .
CHEMICAL PHYSICS LETTERS, 1980, 69 (01) :7-13
[8]   ALL-VALENCE-ELECTRON CONFIGURATION MIXING CALCULATIONS FOR CHARACTERIZATION OF 1(PI,PI-STAR) STATES OF ETHYLENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS, 1975, 9 (1-2) :75-89
[9]   CORRELATION EFFECTS IN IONIZATION OF HYDROCARBONS [J].
CEDERBAUM, LS ;
DOMCKE, W ;
SCHIRMER, J ;
VONNIESSEN, W ;
DIERCKSEN, GHF ;
KRAEMER, WP .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1591-1603
[10]   VALENCE ELECTRON MOMENTUM DISTRIBUTIONS OF ETHYLENE FROM (E,2E) EXPERIMENT [J].
COPLAN, MA ;
MIGDALL, AL ;
MOORE, JH ;
TOSSELL, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) :5008-5011