BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN

被引：151

作者：

CEDERBAUM, LS

HOHLNEICHER, G

NIESSEN, W

机构：

[1] UNIV MUNICH, INST PHYS CHEM & ELEKTROCHEM TECH, MUNICH, WEST GERMANY

[2] MAX PLANCK INST PHYS & ASTROPHYS, MUNICH, WEST GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 18卷 / 04期

关键词：

D O I：

10.1016/0009-2614(73)80451-8

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：503 / 508

页数：6

共 16 条

[1] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].

CADE, PE ;

SALES, KD ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&

[2] CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY [J].

CEDERBAUM, LS ;

HOHLNEIC.G ;

PEYERIMH.S .

CHEMICAL PHYSICS LETTERS, 1971, 11 (04) :421-+

[3]

CEDERBAUM LS, 1972, THESIS TH U

[4]

CEDERBAUM LS, TO BE PUBLISHED

[5] PHOTOELECTRON SPECTRA OF HALOGENS [J].

CORNFORD, AB ;

FROST, DC ;

MCDOWELL, CA ;

RAGLE, JL ;

STENHOUS.IA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) :2651-&

[6]

DIERCKSEN GHF, TO BE PUBLISHED

[7] CALCULATIONS OF IONIZATION ENERGIES AND ELECTRON AFFINITIES BY MEANS OF ONE PARTICLE GREENS FUNCTION [J].

ECKER, F ;

HOHLNEIC.G .

THEORETICA CHIMICA ACTA, 1972, 25 (03) :289-&

[8] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[9]

KELLERER B, IN PRESS

[10]

Koopmans T.A., 1934, PHYSICA, V1, P104, DOI DOI 10.1016/S0031-8914(34)90011-2

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