DELTA-SCF CALCULATIONS OF FREE ATOM-ION SHIFTS

被引:52
作者
BROUGHTON, JQ
BAGUS, PS
机构
关键词
D O I
10.1016/0368-2048(80)85012-2
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
引用
收藏
页码:127 / 148
页数:22
相关论文
共 19 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]  
BAUSCHLICHER CW, J ELECTRON SPECTROSC
[3]   ABSORPTION SPECTRUM OF GASEOUS F- AND ELECTRON AFFINITIES OF HALOGEN ATOMS [J].
BERRY, RS ;
REIMANN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (07) :1540-&
[4]  
BROUGHTON JQ, UNPUBLISHED
[5]  
CITRIN PH, 1972, J CHEM PHYS, V57, P446
[6]  
COX PA, 1972, MOL PHYS, V30, P389
[7]   GLOCKLERS EQUATION FOR IONIZATION POTENTIALS + ELECTRON AFFINITIES .2. [J].
CROSSLEY, RJ .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1964, 83 (5333) :375-&
[8]   NUMERICAL SOLUTION OF HARTREE-FOCK EQUATIONS [J].
FROESE, C .
CANADIAN JOURNAL OF PHYSICS, 1963, 41 (11) :1895-&
[9]   ESCA STUDIES OF MOLECULAR CORE AND VALENCE LEVELS IN GAS-PHASE [J].
GELIUS, U ;
SIEGBAHN, K .
FARADAY DISCUSSIONS, 1972, 54 :257-268
[10]   BINDING-ENERGIES AND CHEMICAL-SHIFTS IN ESCA [J].
GELIUS, U .
PHYSICA SCRIPTA, 1974, 9 (03) :133-147