ON THE IMPORTANCE OF ORBITAL RELAXATION AND CORRELATION IN THE PHOTOELECTRON-SPECTRA OF TRANSITION-METAL COMPLEXES

被引:19
作者
BOHM, MC
机构
关键词
D O I
10.1088/0022-3700/17/15/023
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
引用
收藏
页码:3103 / 3116
页数:14
相关论文
共 35 条
[21]  
HURLEY AC, 1976, ELECTRON CORRELATION
[22]  
Koopmans T, 1934, PHYSICA, V1, P104, DOI DOI 10.1016/S0031-8914(34)90011-2
[23]   APPLICATION OF MANY-BODY GREENS FUNCTIONS TO CALCULATION OF MOLECULAR IONIZATION-POTENTIALS [J].
NERBRANT, PO .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (05) :901-916
[24]   CORRELATION-EFFECTS IN THE COHESION AND MAGNETIC-PROPERTIES OF TRANSITION-METALS [J].
OLES, AM .
PHYSICAL REVIEW B, 1981, 23 (01) :271-278
[25]  
Parr R. G., 1963, QUANTUM THEORY MOL E
[26]   DIRECT CALCULATION OF IONIZATION ENERGIES .1. CLOSED SHELLS [J].
PICKUP, BT ;
GOSCINSKI, O .
MOLECULAR PHYSICS, 1973, 26 (04) :1013-1035
[27]   DIRECT CALCULATION OF ENERGY DIFFERENCES BY A COMMON UNITARY TRANSFORMATION OF 2 MODEL STATES, WITH APPLICATION TO IONIZATION-POTENTIALS [J].
REITZ, H ;
KUTZELNIGG, W .
CHEMICAL PHYSICS LETTERS, 1979, 66 (01) :111-115
[28]  
ROHMER MM, 1975, THEOR CHIM ACTA, V36, P93
[29]  
SCHAEFER HF, 1972, ELECTRONIC STRUCTURE
[30]  
SIMANOGLU O, 1969, ADV CHEM PHYS, V14, P237