ELECTRONIC-STRUCTURE OF CUCL - ABINITIO HARTREE-FOCK SCF-MO STUDY OF CUCL43-CLUSTER

被引：9

作者：

SMIT, TJM

NIEUWPOORT, WC

HAAS, C

机构：

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1978年 / 39卷 / 10期

关键词：

D O I：

10.1016/0022-3697(78)90161-0

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1095 / 1098

页数：4

共 28 条

[1] THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION [J].

BAGUS, PS ;

WALGREN, UI ;

ALMLOF, J .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2324-2334

[2]

Becker K. D., 1970, BER BUNSEN PHYS CHEM, V75, P527

[3] ENERGY-BANDS OF COPPER CHLORIDE .2. CALCULATION AND RESULTS [J].

CALABRES.E ;

FOWLER, WB .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1973, 57 (01) :135-144

[4]

Calabrese E., 1973, Physica Status Solidi B, V56, P621, DOI 10.1002/pssb.2220560225

[5] NORMAL MODES OF VIBRATIONS IN CUCL [J].

CARABATOS, C ;

HENNION, B ;

KUNC, K ;

MOUSSA, F ;

SCHWAB, C .

PHYSICAL REVIEW LETTERS, 1971, 26 (13) :770-+

[6] OPTICAL PROPERTIES OF SILVER AND CUPROUS HALIDES [J].

CARDONA, M .

PHYSICAL REVIEW, 1963, 129 (01) :69-+

[7] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION [J].

COUTIERE, M ;

VEILLARD, A ;

DEMUYNCK, J .

THEORETICA CHIMICA ACTA, 1972, 27 (04) :281-&

[8] BONDING, SPECTRA, AND GEOMETRY OF TETRACHLOROCUPRATE ION CUCL42- - AB-INITIO LCAO-MO-SCF CALCULATION [J].

DEMUYNCK, J ;

VEILLARD, A ;

WAHLGREN, U .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (17) :5563-5574

[9] DENSITY OF VALENCE STATES OF CUCL, CUBR, CUI, AND AGI [J].

GOLDMANN, A ;

TEJEDA, J ;

SHEVCHIK, NJ ;

CARDONA, M .

PHYSICAL REVIEW B, 1974, 10 (10) :4388-4402

[10] BAND-STRUCTURE AND OPTICAL-PROPERTIES OF TETRAHEDRALLY COORDINATED CU-HALIDES AND AG-HALIDES [J].

GOLDMANN, A .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1977, 81 (01) :9-47

← 1 2 3 →