DENSITY-MATRIX CALCULATIONS FOR MOLECULES AND CLUSTERS .2. 1ST-ROW DIATOMIC-MOLECULES

被引：13

作者：

GOLLISCH, H ^{[1
]}

机构：

[1] SONDERFORSCH BEREICH 126 GOTTINGEN CLAUSTHAL,D-3392 CLAUSTHAL,FED REP GER

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1981年 / 14卷 / 23期

关键词：

D O I：

10.1088/0022-3700/14/23/010

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：4451 / 4467

页数：17

共 28 条

[1]

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

[2] THEORETICAL CALCULATION OF POTENTIAL CURVES OF BE2 MOLECULE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) :4972-&

[3] ELECTRONIC STRUCTURE OF B2 MOLECULE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (09) :3313-&

[4]

CHAKERIAN C, 1976, J CHEM PHYS, V65, P4228

[5] 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

[6] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS [J].

DUNLAP, BI ;

CONNOLLY, JWD ;

SABIN, JR .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) :4993-4999

[7] GROUND ELECTRONIC STATE OF B2 [J].

DUPUIS, M ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) :2902-2910

[8] *UBER EINE APPROXIMATION DES HARTREEFOGKSCHEN POTENTIALS DURCH EINE UNIVERSELLE POTENTIALFUNKTION [J].

GASPAR, R .

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1954, 3 (3-4) :263-286

[9] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].

GUNNARSSON, O ;

LUNDQVIST, BI .

PHYSICAL REVIEW B, 1976, 13 (10) :4274-4298

[10]

GUNNARSSON O, 1977, J CHEM PHYS, V67, P3970, DOI 10.1063/1.435414

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