PREDICTION OF LARGE CORRECTIONS TO KOOPMANS THEOREM AND ABINITIO VERTICAL IONIZATION-POTENTIALS OF HOCL, FOCL AND CL2O

被引：16

作者：

CHONG, DP

HERRING, FG

TAKAHATA, Y

机构：

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1978年 / 13卷 / 01期

关键词：

D O I：

10.1016/0368-2048(78)85005-1

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

引用

收藏

页码：39 / 47

页数：9

相关论文

共 19 条

[1] BERKOWITZ J, 1973, CHEM PHYS LETT, V19, P334, DOI 10.1016/0009-2614(73)80372-0
[2] PERFLUORO EFFECT IN PHOTOELECTRON SPECTROSCOPY .1. NON-AROMATIC MOLECULES
BRUNDLE, CR
BASCH, H
ROBIN, MB
KEUBLER, NA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) : 1451 - &
[3] ASSIGNMENT OF DOUBLET STATES ARISING FROM IONIZATION OF CHLORINE LONE-PAIRS IN MOLECULES POSSESSING C2V SYMMETRY
BUNZLI, JC
FROST, DC
HERRING, FG
MCDOWELL, CA
[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 9 (04) : 289 - 305
[4] IMPROVED CALCULATIONS OF IONIZATION-POTENTIALS OF CLOSED-SHELL MOLECULES
CEDERBAUM, LS
HOHLNEICHER, G
NIESSEN, WV
[J]. MOLECULAR PHYSICS, 1973, 26 (06) : 1405 - 1424
[5] CHADWICK D, 1972, ELECTRON SPECTROSCOP, P453
[6] THEORETICAL-STUDY OF VERTICAL IONIZATION-POTENTIALS OF HNO, FNO, O3, CF2 AND N2H2
CHONG, DP
HERRING, FG
MCWILLIAMS, D
[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1975, 7 (06) : 445 - 455
[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] PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS
CHONG, DP
HERRING, FG
MCWILLIAMS, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) : 78 - 84
[9] 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
[10] 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