THEORETICAL STUDIES OF MOLECULAR IONS - BEH-

被引：40

作者：

KENNEY, J ^{[1
]}

SIMONS, J ^{[1
]}

机构：

[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 02期

关键词：

D O I：

10.1063/1.430458

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：592 / 599

页数：8

共 24 条

[1] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 614 - &
[2] CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY
CEDERBAUM, LS
HOHLNEIC.G
PEYERIMH.S
[J]. CHEMICAL PHYSICS LETTERS, 1971, 11 (04) : 421 - +
[3] IMPROVED CALCULATIONS OF IONIZATION-POTENTIALS OF CLOSED-SHELL MOLECULES
CEDERBAUM, LS
HOHLNEICHER, G
NIESSEN, WV
[J]. MOLECULAR PHYSICS, 1973, 26 (06) : 1405 - 1424
[4] BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN
CEDERBAUM, LS
HOHLNEICHER, G
NIESSEN, W
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 503 - 508
[5] DIRECT CALCULATION OF IONIZATION POTENTIALS OF CLOSED-SHELL ATOMS AND MOLECULES
CEDERBAUM, LS
[J]. THEORETICA CHIMICA ACTA, 1973, 31 (03): : 239 - 260
[6] Chong D. P., 1974, Journal of the Chemical Society Faraday Transactions II, V70, P193, DOI 10.1039/f29747000193
[7] PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .3. EXTENSION TO MOLECULES CONTAINING SI, P, S, AND CL AND COMPARISON WITH OTHER METHODS
CHONG, DP
HERRING, FG
MCWILLIAMS, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) : 3567 - 3570
[8] VERTICAL IONIZATION-POTENTIALS OF HYPOFLUOROUS ACID AS CALCULATED BY PERTURBATION CORRECTIONS TO KOOPMANS THEOREM
CHONG, DP
HERRING, FG
MCWILLIAMS, D
[J]. CHEMICAL PHYSICS LETTERS, 1974, 25 (04) : 568 - 570
[9] PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .2. STUDY OF BASIS SET VARIATION
CHONG, DP
HERRING, FG
MCWILLIAMS, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) : 958 - 962
[10] CONTE SD, 1965, ELEMENTARY NUMERICAL, P27

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