SIMPLIFIED METHOD FOR CALCULATING THE ENERGY OF WEAKLY INTERACTING FRAGMENTS

被引：787

作者：

HARRIS, J

机构：

来源：

PHYSICAL REVIEW B | 1985年 / 31卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.31.1770

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：1770 / 1779

页数：10

共 26 条

[1] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPOUNDS - GROUND-STATE PROPERTIES OF THE 3D-MONOXIDES IN THE ATOMIC SPHERE APPROXIMATION [J].

ANDERSEN, OK ;

SKRIVER, HL ;

NOHL, H ;

JOHANSSON, B .

PURE AND APPLIED CHEMISTRY, 1980, 52 (01) :93-118

[2] LASER VAPORIZATION OF BERYLLIUM - GAS-PHASE SPECTRUM AND MOLECULAR-POTENTIAL OF BE2 [J].

BONDYBEY, VE ;

ENGLISH, JH .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (01) :568-570

[3] ELECTRON CORRELATION IN SMALL METAL CLUSTERS - APPLICATION OF A THEORY OF SELF-CONSISTENT ELECTRON PAIRS TO BE-4 SYSTEM [J].

DYKSTRA, CE ;

SCHAEFER, HF ;

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5141-5146

[4] THEORY FOR FORCES BETWEEN CLOSED-SHELL ATOMS AND MOLECULES [J].

GORDON, RG ;

KIM, YS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :3122-&

[5]

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

[6]

HARRIS J, 1984, PHYS REV A, V29, P1648, DOI 10.1103/PhysRevA.29.1648

[7] The Role of Occupation Numbers in HKS Theory [J].

Harris, J. .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 :189-193

[8] LOCALIZED-MUFFIN-TIN-ORBITAL BASIS FOR ATOMIC-CLUSTER CALCULATIONS WITHIN THE LOCAL-DENSITY FORMALISM [J].

HARRIS, J ;

PAINTER, GS .

PHYSICAL REVIEW B, 1980, 22 (06) :2614-2625

[9] THE A ELECTRONIC STATE OF ACETYLENE - GEOMETRY AND AXIS-SWITCHING EFFECTS [J].

HUET, TR ;

GODEFROID, M ;

HERMAN, M .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1990, 144 (01) :32-44

[10] MOLECULAR BONDING IN GROUP-IIA DIMERS BE2-BA2 [J].

JONES, RO .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (03) :1300-1308

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