PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS

被引:126
作者
CHONG, DP [1 ]
HERRING, FG [1 ]
MCWILLIAMS, D [1 ]
机构
[1] UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER 8, BRITISH COLUMBI, CANADA
关键词
D O I
10.1063/1.1681673
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
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页码:78 / 84
页数:7
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共 59 条
[1]   EXAMPLES OF KNOWN SCF PROCEDURES WHICH DO NOT SATISFY ALL NECESSARY CONDITIONS FOR ENERGY TO BE STATIONARY [J].
ALBAT, R ;
GRUEN, N .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :572-573
[2]   DERIVATION OF GENERAL OPEN-SHELL SCF EQUATIONS FOR ATOMS AND MOLECULES WITH A GREEN-FUNCTION METHOD [J].
ALBAT, R ;
GRUEN, N .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (04) :601-613
[4]  
[Anonymous], 1967, A Guide to Feynman Diagrams in the Many-Body Problem
[5]  
Baker A.D., 1968, INT J MASS SPECTROM, V1, P285
[6]   GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2 [J].
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 37 (03) :423-&
[7]   PERFLUORO EFFECT IN PHOTOELECTRON SPECTROSCOPY .1. NON-AROMATIC MOLECULES [J].
BRUNDLE, CR ;
BASCH, H ;
ROBIN, MB ;
KEUBLER, NA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1451-&
[8]   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-&
[9]   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-+
[10]   BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN [J].
CEDERBAUM, LS ;
HOHLNEICHER, G ;
NIESSEN, W .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :503-508