ELECTRIC-FIELD GRADIENT AND ELECTRONIC-STRUCTURE OF LINEAR-BONDED HALIDE COMPOUNDS

被引：40

作者：

ELLIS, DE

GUENZBURGER, D

JANSEN, HB

机构：

[1] CTR BRASILEIRO PESQUISAS FIS,BR-20000 RIO DE JANEIRO,RJ,BRAZIL

[2] FREE UNIV AMSTERDAM,DEPT CHEM,1007 MC AMSTERDAM,NETHERLANDS

来源：

PHYSICAL REVIEW B | 1983年 / 28卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.28.3697

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：3697 / 3705

页数：9

共 62 条

[1] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].

Baerends, E. J. ;

Ellis, D. E. ;

Ros, P. .

CHEMICAL PHYSICS, 1973, 2 (01) :41-51

[2]

BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[3]

BAGGIOSAITOVITC.E, 1976, J PHYS PARIS, V37, P529

[4] NUCLEAR MAGNETIC RESONANCE OF CL35 IN PARAMAGNETIC FECL2 [J].

BARNES, RG ;

SEGEL, SL .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (08) :1895-&

[5] PES OF HIGH-TEMPERATURE VAPORS .8. TRANSITION-METAL DIHALIDES [J].

BERKOWITZ, J ;

STREETS, DG ;

GARRITZ, A .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (03) :1305-1311

[6] INFLUENCE OF INTERMOLECULAR BONDING ON NUCLEAR-QUADRUPOLE INTERACTION TENSORS IN SOLID HALOGENS [J].

COKER, A ;

LEE, T ;

DAS, TP .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (09) :3903-3907

[7] BINDING-ENERGY AND ELECTRONIC-STRUCTURE OF SMALL COPPER PARTICLES [J].

DELLEY, B ;

ELLIS, DE ;

FREEMAN, AJ ;

BAERENDS, EJ ;

POST, D .

PHYSICAL REVIEW B, 1983, 27 (04) :2132-2144

[8] EFFICIENT AND ACCURATE EXPANSION METHODS FOR MOLECULES IN LOCAL DENSITY MODELS [J].

DELLEY, B ;

ELLIS, DE .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1949-1960

[9]

DELLEY B, COMMUNICATION

[10]

Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X

← 1 2 3 4 5 6 7 →