BONDING IN THE 1ST-ROW DIATOMIC-MOLECULES WITHIN THE LOCAL SPIN-DENSITY APPROXIMATION

被引：116
作者：
PAINTER, GS
AVERILL, FW
机构：
来源：
PHYSICAL REVIEW B | 1982年 / 26卷 / 04期
关键词：
D O I：
10.1103/PhysRevB.26.1781
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
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页码：1781 / 1790
页数：10
相关论文
共 34 条
[1]   VIRIAL-THEOREM IN THE DENSITY-FUNCTIONAL FORMALISM - FORCES IN H-2 [J].
AVERILL, FW ;
PAINTER, GS .
PHYSICAL REVIEW B, 1981, 24 (12) :6795-6800
[2]  
BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169
[3]  
BLOMBERG M, 1980, INT J QUANTUM CHEM, V14, P229
[4]   OPTICAL-SPECTRA OF BE ATOMS AND BE2 MOLECULES IN RARE-GAS MATRICES [J].
BROM, JM ;
HEWETT, WD ;
WELTNER, W .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3122-3130
[5]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[6]   AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS [J].
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4544-4556
[7]   1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS [J].
DUNLAP, BI ;
CONNOLLY, JWD ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) :4993-4999
[8]  
Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[9]   DENSITY FUNCTIONAL CALCULATIONS FOR ATOMS, MOLECULES AND CLUSTERS [J].
GUNNARSSON, O ;
JONES, RO .
PHYSICA SCRIPTA, 1980, 21 (3-4) :394-401
[10]   BAND MAGNETISM IN SPIN-DENSITY-FUNCTIONAL FORMALISM [J].
GUNNARSSON, O .
JOURNAL OF APPLIED PHYSICS, 1978, 49 (03) :1399-1404
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