EQUIVALENT-CORE BASIS FUNCTIONS TO STUDY CORE-IONIZED AND CORE-EXCITED STATES

被引:18
作者
KOSUGI, N
KURODA, H
机构
关键词
D O I
10.1016/0009-2614(83)80749-0
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:377 / 382
页数:6
相关论文
共 37 条
[1]   BASIS SET INVESTIGATION FOR OXYGEN 1S IONIZATION-POTENTIAL IN H2O [J].
AGREN, H ;
SVENSSON, S ;
WAHLGREN, UI .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (02) :317-324
[2]   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-&
[3]   LOCALIZED AND DELOCALIZED 1S HOLE STATES OF O2+ MOLECULAR ION [J].
BAGUS, PS ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) :224-&
[4]   DIRECT NEAR-HARTREE-FOCK CALCULATIONS ON 1S HOLE STATES OF NO+ [J].
BAGUS, PS ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) :1474-&
[5]   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
[6]   SOME THEORETICAL ASPECTS OF VIBRATIONAL FINE-STRUCTURE ACCOMPANYING CORE IONIZATIONS IN N2 AND CO [J].
CLARK, DT ;
MULLER, J .
THEORETICA CHIMICA ACTA, 1976, 41 (03) :193-215
[7]  
DAVIDSON ER, 1976, INT J QUANTUM CHEM S, V10, P21
[8]   COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM [J].
DAVIS, DW ;
HOLLANDER, JM ;
SHIRLEY, DA ;
THOMAS, TD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) :3295-+
[9]  
DEUTSCH PW, 1976, CHEM PHYS LETT, V39, P588, DOI 10.1016/0009-2614(76)80337-5
[10]  
Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1