CLUSTER-EXPANSION OF THE WAVE-FUNCTION - VALENCE AND RYDBERG EXCITATIONS AND IONIZATIONS OF PYRROLE, FURAN, AND CYCLOPENTADIENE

被引：113

作者：

NAKATSUJI, H

KITAO, O

YONEZAWA, T

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 02期

关键词：

D O I：

10.1063/1.449857

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

页码：723 / 734

页数：12

共 54 条

[1] INTERPRETATION OF ELECTRON-SPECTRA .1. SPECTRA OF FURAN, PYRROLE AND CYCLOPENTADIENE, STUDIED WITH HAM-3 [J].

ASBRINK, L ;

FRIDH, C ;

LINDHOLM, E .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1979, 16 (1-2) :65-76

[2] COMPLETE STRUCTURE OF FURAN [J].

BAK, B ;

CHRISTENSEN, D ;

HANSENNYGAARD, L ;

DIXON, WB ;

SCHOTTLANDER, M ;

RASTRUPANDERSEN, J .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1962, 9 (02) :124-&

[3] VALENCE-BOND CALCULATIONS OF TRIPLET-STATE ENERGIES AND SPIN DENSITIES OF UNSATURATED ORGANIC MOLECULES [J].

BARFIELD, M .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3831-&

[4] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].

BARTLETT, RJ ;

PURVIS, GD .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581

[5] ELECTRONIC-SPECTRUM OF PYRROLE IN VAPOR AND CRYSTAL [J].

BAVIA, M ;

BERTINELLI, F ;

TALIANI, C ;

ZAULI, C .

MOLECULAR PHYSICS, 1976, 31 (02) :479-489

[6]

Bene J. D., 1968, J CHEM PHYS, V48, P4050

[7] 30.4-NM HE(II) PHOTO-ELECTRON SPECTRA OF ORGANIC-MOLECULES .7. MISCELLANEOUS COMPOUNDS [J].

BIERI, G ;

ASBRINK, L ;

VONNIESSEN, W .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1982, 27 (02) :129-178

[8] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[9]

BRAUDLE CR, 1970, J AM CHEM SOC, V92, P5550

[10]

BUTCHER W, 1978, CHEM PHYS LET, V57, P224

← 1 2 3 4 5 6 →