EOM PROPAGATOR IONIZATION-POTENTIALS - PREDICTION OF COMPLETE VALENCE-SHELL IONIZATION SPECTRA USING DIRECT DIAGONALIZATION

被引：31

作者：

BAKER, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 101卷 / 02期

关键词：

D O I：

10.1016/0009-2614(83)87357-6

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

收藏

页码：136 / 140

页数：5

相关论文

共 25 条

[1] ALMLOF J, MOLECULE EPSCF
[2] A METHOD FOR MOLECULAR IONIZATION-POTENTIALS
BAKER, J
PICKUP, BT
[J]. CHEMICAL PHYSICS LETTERS, 1980, 76 (03) : 537 - 541
[3] EOM PROPAGATOR IONIZATION-POTENTIALS - EXTENSION OF THE EXCITATION OPERATOR MANIFOLD
BAKER, J
[J]. CHEMICAL PHYSICS, 1983, 79 (01) : 117 - 128
[4] Baker J., UNPUB
[5] BAKER J, UNPUB MOL PHYS
[6] MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3EV - N2, CO, C2H4 AND O2
BANNA, MS
SHIRLEY, DA
[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 8 (04) : 255 - 270
[7] ELECTRON PROPAGATOR THEORY FOR THE CALCULATION OF MOLECULAR ELECTRON-BINDING ENERGIES AND PHOTO-IONIZATION INTENSITIES
BORN, G
OHRN, Y
[J]. PHYSICA SCRIPTA, 1980, 21 (3-4) : 378 - 384
[8] CORRELATION EFFECTS IN IONIZATION OF HYDROCARBONS
CEDERBAUM, LS
DOMCKE, W
SCHIRMER, J
VONNIESSEN, W
DIERCKSEN, GHF
KRAEMER, WP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) : 1591 - 1603
[9] EXPANSION AND COMPLETENESS THEOREMS FOR OPERATOR MANIFOLDS
DALGAARD, E
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 15 (02) : 169 - 180
[10] ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) : 87 - 94