THEORY AND APPLICATION OF PHOTOELECTRON-SPECTROSCOPY .56. CALCULATION OF VALENCE ELECTRON VERTICAL IONIZATION-POTENTIALS USING A LIMITED CI APPROACH

被引：18

作者：

LAUER, G ^{[1
]}

SCHULTE, KW ^{[1
]}

SCHWEIG, A ^{[1
]}

机构：

[1] UNIV MARBURG, FACHBEREICH PHYS CHEM, D-3550 MARBURG, FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 32卷 / 01期

关键词：

D O I：

10.1016/0009-2614(75)85192-X

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：163 / 166

页数：4

共 30 条

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[2] IONIZATION POTENTIALS OF BUTADIENE, HEXATRIENE, AND THEIR METHYL DERIVATIVES - EVIDENCE FOR THROUGH SPACE INTERACTION BETWEEN DOUBLE-BOND PI-ORBITALS AND NON-BONDED PSEUDO-PI ORBITALS OF METHYL GROUPS
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[3] CARSKY P, 1973, FORTSCHR CHEM FORSCH, V43, P1
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[6] THEORETICAL STUDIES OF MOLECULAR IONS - VERTICAL IONIZATION-POTENTIALS OF NITROGEN MOLECULE
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[J]. CHEMICAL PHYSICS LETTERS, 1974, 26 (02) : 296 - 300
[7] PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) : 78 - 84
[8] CHONG DP, 1974, T FARADAY SOC F2, P193
[9] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION
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[J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &
[10] CALCULATION OF PHOTOIONIZATION CROSS-SECTIONS USING AB-INITIO WAVEFUNCTIONS AND PLANE-WAVE APPROXIMATION
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[J]. CHEMICAL PHYSICS LETTERS, 1975, 31 (02) : 286 - 290

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