DIRECT CALCULATION OF IONIZATION ENERGIES - TRANSITION OPERATOR FOR DELTA-ESCF METHOD

被引：106

作者：

GOSCINSKI, O

PICKUP, BT

PURVIS, G

机构：

[1] UNIV UPPSALA, DEPT QUANTUM CHEM, BOX 518, 75120 UPPSALA, SWEDEN

[2] UNIV FLORIDA, QUANTUM THEORY PROJECT, GAINESVILLE, FL 32601 USA

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 22卷 / 01期

关键词：

D O I：

10.1016/0009-2614(73)80562-7

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：167 / 171

页数：5

相关论文

共 31 条

[1] ATOMIC CENTRAL-FIELD MODELS FOR OPEN SHELLS WITH APPLICATION TO TRANSITION-METALS
ABDULNUR, SF
THULSTRUP, PW
LINDERBERG, J
OHRN, U
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1972, 6 (03): : 889 - +
[2] SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR HOLE STATES OF SOME NE-LIKE AND AR-LIKE IONS
BAGUS, PS
[J]. PHYSICAL REVIEW, 1965, 139 (3A): : A619 - &
[3] LOCALIZED AND DELOCALIZED 1S HOLE STATES OF O2+ MOLECULAR ION
BAGUS, PS
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) : 224 - &
[4] DIRECT NEAR-HARTREE-FOCK CALCULATIONS ON 1S HOLE STATES OF NO+
BAGUS, PS
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) : 1474 - &
[5] TRANSITION-STATE IN XALPHA METHOD
BEEBE, NHF
[J]. CHEMICAL PHYSICS LETTERS, 1973, 19 (02) : 290 - 294
[6] REMARK ON COMPARISON BETWEEN ROOTHAAN OPEN SHELL AND HALF-ELECTRON METHOD
CARSKY, P
ZAHRADNI.R
[J]. THEORETICA CHIMICA ACTA, 1972, 26 (02): : 171 - +
[7] BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN
CEDERBAUM, LS
HOHLNEICHER, G
NIESSEN, W
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (04) : 503 - 508
[8] Clementi E., 1965, TABLES ATOMIC FUNCTI
[9] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION
COUTIERE, M
VEILLARD, A
DEMUYNCK, J
[J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &
[10] NUMERICAL SOLUTION OF HARTREE-FOCK EQUATIONS
FROESE, C
[J]. CANADIAN JOURNAL OF PHYSICS, 1963, 41 (11) : 1895 - &

← 1 2 3 4 →