CHEMISTRY OF EXCITED-STATES .11. INTERPRETATION OF PHOTOELECTRON-SPECTRA BY FINAL-STATE SINGLE CI METHOD WITHIN SEMI-EMPIRICAL FORMALISMS

被引：21

作者：

KLUGE, G

SCHOLZ, M

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1981年 / 20卷 / 03期

关键词：

D O I：

10.1002/qua.560200309

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：669 / 682

页数：14

共 47 条

[21]

KLUGE G, UNPUBLISHED

[22] The classification of wave functions and eigen-values to the single electrons of an atom [J].

Koopmans, T .

PHYSICA, 1934, 1 :104-113

[23] CALCULATION OF AVERAGE STRUCTURE OF ETHYLENE [J].

KUCHITSU, K .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (03) :906-+

[24] LNDO-S, A SEMI-EMPIRICAL SCF-CI METHOD FOR CALCULATION OF IONIZATION-POTENTIALS AND ELECTRONIC-TRANSITION ENERGIES OF VALENCE-ELECTRONS [J].

LAUER, G ;

SCHULTE, KW ;

SCHWEIG, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) :4925-4935

[25]

LAUER G, 1975, CHEM PHYS LETT, V32, P1

[26] VALENCE ELECTRON SHAKE-UP IN PHOTOELECTRON-SPECTRA [J].

LINDHOLM, E ;

ASBRINK, L .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1980, 18 (1-2) :121-133

[27] THE ELECTRONIC SPECTRA OF AROMATIC MOLECULES .4. EXCITED STATES OF ODD ALTERNANT HYDROCARBON RADICALS AND IONS [J].

LONGUETHIGGINS, HC ;

POPLE, JA .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1955, 68 (07) :591-600

[28] CORRELATION STATES IN VALENCE XPS SPECTRUM OF ETHYLENE [J].

MARTIN, RL ;

DAVIDSON, ER .

CHEMICAL PHYSICS LETTERS, 1977, 51 (02) :237-241

[29] ULTRAVIOLET SPECTRA AND EXCITED STATES OF ETHYLENE AND ITS ALKYL DERIVATIVES [J].

MERER, AJ ;

MULLIKEN, RS .

CHEMICAL REVIEWS, 1969, 69 (05) :639-&

[30] CI(CIPSI) CALCULATIONS OF VERTICAL IONIZATION AND EXCITATION-ENERGIES OF FORMAMIDE MOLECULE [J].

OLIVEROS, E ;

RIVIERE, M ;

TEICHTEIL, C ;

MALRIEU, JP .

CHEMICAL PHYSICS LETTERS, 1978, 57 (02) :220-223

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