COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM

被引：85

作者：

DAVIS, DW

HOLLANDER, JM

SHIRLEY, DA

THOMAS, TD

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 06期

关键词：

D O I：

10.1063/1.1673472

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：3295 / +

页数：1

共 10 条

[1] SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR HOLE STATES OF SOME NE-LIKE AND AR-LIKE IONS [J].

BAGUS, PS .

PHYSICAL REVIEW, 1965, 139 (3A) :A619-&

[2]

BASCH H, 1969, PRIVATE COMMUNICATIO

[3] ESCA: Chemical shifts of K-shell electron binding energies for first-row atoms in molecules [J].

Basch, Harold ;

Snyder, Lawrence C. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (05) :333-336

[4]

HA TK, 1967, INT J QUANT CHEM S, V1, P199

[5] Structure studies of sulphur compounds by ESCA [J].

Hamrin, K. ;

Johansson, G. ;

Fahlman, A. ;

Nordling, C. ;

Siegbahn, K. ;

Lindberg, B. .

CHEMICAL PHYSICS LETTERS, 1968, 1 (11) :557-559

[6] NITROGEN 1S ELECTRON BINDING ENERGIES . CORRELATION WITH CNDO CHARGES [J].

HOLLANDER, JM ;

HENDRICKSON, DN ;

JOLLY, WL .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :3315-+

[7] The classification of wave functions and eigen-values to the single electrons of an atom [J].

Koopmans, T .

PHYSICA, 1934, 1 :104-113

[8]

NORDBERG R, 1968, ARK KEMI, V28, P257

[9] APPLICATION ELECTRON SPECTROSCOPY CHEMICAL ANALYSIS [J].

NORDLING, C ;

HAGSTROM, S ;

SIEGBAHN, K .

ZEITSCHRIFT FUR PHYSIK, 1964, 178 (05) :433-&

[10]

SIEGBAHN K, 1967, ESCA ATOMIC MOLECULA, P97

← 1 →