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 7 条

[1] APPLICATIONS OF PHOTOELECTRON-SPECTROSCOPY TO MOLECULAR-PROPERTIES .18. THE VERTICAL IONIZATION-POTENTIALS OF DIPHOSPHENE AS CALCULATED BY PERTURBATION CORRECTIONS TO KOOPMANS THEOREM
GONBEAU, D
PFISTERGUILLOUZO, G
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1984, 33 (03) : 279 - 283
[2] THEORY AND APPLICATION OF PHOTOELECTRON-SPECTROSCOPY .101. SHAPE RESONANCES IN THE VALENCE-SHELL PHOTO-IONIZATION OF CYANOGEN
KREILE, J
SCHWEIG, A
THIEL, W
CHEMICAL PHYSICS LETTERS, 1983, 100 (04) : 351 - 357
[3] APPLICATION OF INDEPENDENT ELECTRON PAIR APPROACH TO CALCULATION OF EXCITATION-ENERGIES, IONIZATION-POTENTIALS, AND ELECTRON AFFINITIES OF FIRST ROW ATOMS
STAEMMLER, V
JUNGEN, M
THEORETICA CHIMICA ACTA, 1975, 38 (04): : 303 - 309
[4] APPLICATION OF MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY TO CALCULATION OF IONIZATION-POTENTIALS AND ELECTRON AFFINITIES
HUBAC, I
KVASNICKA, V
HOLUBEC, A
CHEMICAL PHYSICS LETTERS, 1973, 23 (03) : 381 - 385
[5] APPLICATION OF MULTICONFIGURATIONAL MANY-BODY PERTURBATION-THEORY TO THE CALCULATION OF IONIZATION-POTENTIALS, ELECTRON-AFFINITIES AND EXCITATION-ENERGIES
YAMAMOTO, S
SAIKA, A
CHEMICAL PHYSICS LETTERS, 1981, 78 (02) : 316 - 322
[6] KOHN-SHAM THEORY FOR ORBITAL DEPENDENT EXCHANGE-CORRELATION ENERGY FUNCTIONALS - APPLICATION TO THE CALCULATION OF IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES
KRIEGER, JB
CHEN, ZQ
LI, Y
IAFRATE, GJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, : 79 - 92
[7] THEORY AND APPLICATION OF PHOTOELECTRON-SPECTROSCOPY .104. THE PERFORMANCE OF THE VARIOUS SEMI-EMPIRICAL METHODS MNDO, MNDO PERTCI, CNDO/S, CNDO/S PERTCI, LNDO/S AND LNDO/S PERTCI FOR THE PREDICTION OF VERTICAL IONIZATION ENERGIES
SCHULZ, R
SCHWEIG, A
ZITTLAU, W
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1985, 22 (MAR): : 115 - 120

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