TRANSITION-STATE, ELECTRON PROPAGATOR, AND EQUATION OF MOTION METHOD

被引：44

作者：

PURVIS, GD ^{[1
]}

OHRN, Y ^{[1
]}

机构：

[1] UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 65卷 / 03期

关键词：

D O I：

10.1063/1.433160

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：917 / 922

页数：6

相关论文

共 27 条

[1] 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 - +
[2] BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN
CEDERBAUM, LS
HOHLNEICHER, G
NIESSEN, W
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 503 - 508
[3] DIRECT CALCULATION OF IONIZATION POTENTIALS OF CLOSED-SHELL ATOMS AND MOLECULES
CEDERBAUM, LS
[J]. THEORETICA CHIMICA ACTA, 1973, 31 (03): : 239 - 260
[4] DECLAUX JP, 1973, ATOMIC DATA NUCLEAR, V12, P311
[5] DIRECT CALCULATION OF IONIZATION ENERGIES - TRANSITION OPERATOR FOR DELTA-ESCF METHOD
GOSCINSKI, O
PICKUP, BT
PURVIS, G
[J]. CHEMICAL PHYSICS LETTERS, 1973, 22 (01) : 167 - 171
[6] TRANSITION OPERATORS FOR MOLECULAR DELTA-E SCF CALCULATIONS - IONIZATION IN WATER AND FURAN
GOSCINSKI, O
HEHENBERGER, M
ROOS, B
SIEGBAHN, P
[J]. CHEMICAL PHYSICS LETTERS, 1975, 33 (03) : 427 - 431
[7] MOLECULAR AND ATOMIC APPLICATIONS OF TIME-DEPENDENT HARTREE-FOCK THEORY
JORGENSEN, P
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1975, 26 : 359 - 380
[8] Koopmans T.A., 1934, PHYSICA, V1, P104, DOI DOI 10.1016/S0031-8914(34)90011-2
[9] Linderberg J, 1973, PROPAGATORS QUANTUM
[10] Improved decoupling procedure for Green function
Linderberg, Jan
Oehrn, Yngve
[J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (07) : 295 - 296