CALCULATION OF INNER SHELL IONIZATION ENERGIES AND ESCA SHIFTS

被引：25
作者：
MCWEENY, R [1 ]
VELENIK, AA [1 ]
机构：
[1] UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S37HF,YORKSHIRE,ENGLAND
来源：
MOLECULAR PHYSICS | 1972年 / 24卷 / 06期
关键词：
D O I：
10.1080/00268977200102481
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：1421 / 1430
页数：10
相关论文
共 7 条
[1]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[2]   PERTURBATION-THEORY EXPANSIONS THROUGH 21ST ORDER OF NONRELATIVISTIC ENERGIES OF 2-ELECTRON SYSTEMS (2P)2 3P AND (1S)2 1S [J].
MIDTDAL, J .
PHYSICAL REVIEW, 1965, 138 (4A) :1010-&
[3]   K-SHELL IONIZATION ENERGIES IN MOLECULES BY SCF GF CALCULATIONS [J].
MOCCIA, R ;
ZANDOMENEGHI, M .
CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :221-+
[4]   Correlation of core electron binding energies with the average potential at a nucleus: Carbon 1s and extended Huckel theory valence molecular orbital potentials [J].
Schwartz, M. E. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (01) :78-82
[5]   Correlation of 1s binding energy with the average quantum mechanical potential at A nucleus [J].
Schwartz, Maurice E. .
CHEMICAL PHYSICS LETTERS, 1970, 6 (06) :631-636
[6]  
SIEGBAHN K, 1967, ESCA ATOMIC MOLECULA
[7]  
[No title captured]
1