ELECTRONIC-STRUCTURE AND VALENCE IONIZATION ENERGIES OF CROCL3 STUDIED BY ABINITIO AND SW-X-ALPHA METHODS

被引：12

作者：

DORAN, M ^{[1
]}

HAWKSWORTH, RW ^{[1
]}

HILLIER, IH ^{[1
]}

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1980年 / 76卷

关键词：

D O I：

10.1039/f29807600164

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：164 / 171

页数：8

共 15 条

[11] CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&

ROOS, B ;

VEILLARD, A ;

VINOT, G .

THEORETICA CHIMICA ACTA, 1971, 20 (01) :1-&

SCHWARZ, K .

PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&

[14]

Slater J.C., 1974, QUANTUM THEORY MOL S, V4

[15]

VEILLARD A, 1977, MODERN THEORETICAL C, V4, P187