EXTREMA OF THE DENSITY FUNCTIONAL FOR THE ENERGY - EXCITED-STATES FROM THE GROUND-STATE THEORY

被引：117

作者：

PERDEW, JP ^{[1
]}

LEVY, M ^{[1
]}

机构：

[1] TULANE UNIV,QUANTUM THEORY GRP,NEW ORLEANS,LA 70118

来源：

PHYSICAL REVIEW B | 1985年 / 31卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.31.6264

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：6264 / 6272

页数：9

共 54 条

[1]

CALLAWAY J, 1984, SOLID STATE PHYS, V38, P136

[2]

da Providencia J, 1985, DENSITY FUNCTIONAL M

[3]

Dahl J. P., 1984, LOCAL DENSITY APPROX

[4] EXACT DENSITY FUNCTIONALS FOR GROUND-STATE ENERGIES .1. GENERAL RESULTS [J].

ENGLISCH, H ;

ENGLISCH, R .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1984, 123 (02) :711-721

[5] DIRECT 1ST PRINCIPLES ALGORITHM FOR THE UNIVERSAL ELECTRON-DENSITY FUNCTIONAL [J].

FREED, KF ;

LEVY, M .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01) :396-398

[6] 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

[7] DESCRIPTIONS OF EXCHANGE AND CORRELATION EFFECTS IN INHOMOGENEOUS ELECTRON-SYSTEMS [J].

GUNNARSSON, O ;

JONSON, M ;

LUNDQVIST, BI .

PHYSICAL REVIEW B, 1979, 20 (08) :3136-3164

[8] EXTENSIONS OF THE LSD APPROXIMATION IN DENSITY FUNCTIONAL CALCULATIONS [J].

GUNNARSSON, O ;

JONES, RO .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5357-5362

[9] RIGOROUS FORMULATION OF THE KOHN AND SHAM THEORY [J].

HADJISAVVAS, N ;

THEOPHILOU, A .

PHYSICAL REVIEW A, 1984, 30 (05) :2183-2186

[10]

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

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