STUDY OF THE DENSITY-GRADIENT EXPANSION FOR THE EXCHANGE ENERGY

被引：195

作者：

SAHNI, V

GRUENEBAUM, J

PERDEW, JP

机构：

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

[2] TULANE UNIV,DEPT PHYS,NEW ORLEANS,LA 70118

来源：

PHYSICAL REVIEW B | 1982年 / 26卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.26.4371

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：4371 / 4377

页数：7

共 33 条

[21] CORRECTIONS TO LOCAL DENSITY APPROXIMATION - GRADIENT EXPANSION VERSUS WAVE-VECTOR ANALYSIS FOR METALLIC SURFACE PROBLEM [J].

PERDEW, JP ;

LANGRETH, DC ;

SAHNI, V .

PHYSICAL REVIEW LETTERS, 1977, 38 (18) :1030-1033

[22] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].

PERDEW, JP ;

ZUNGER, A .

PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079

[23] CONVERGENCE OF GRADIENT EXPANSION IN METALLIC SURFACE-ENERGY CALCULATIONS [J].

RASOLT, M ;

WANG, JSY ;

KAHN, LM .

PHYSICAL REVIEW B, 1977, 15 (02) :580-583

[24] VARIATIONAL CALCULATION OF METAL-SURFACE ENERGIES [J].

SAHNI, V ;

GRUENEBAUM, J .

SOLID STATE COMMUNICATIONS, 1977, 21 (05) :463-465

[25] RAYLEIGH-RITZ VARIATIONAL CALCULATIONS OF REAL-METAL-SURFACE PROPERTIES [J].

SAHNI, V ;

GRUENEBAUM, J .

PHYSICAL REVIEW B, 1979, 19 (04) :1840-1854

[26] VARIATIONAL CALCULATIONS OF LOW-INDEX CRYSTAL FACE-DEPENDENT SURFACE ENERGIES AND WORK-FUNCTIONS OF SIMPLE METALS [J].

SAHNI, V ;

PERDEW, JP ;

GRUENEBAUM, J .

PHYSICAL REVIEW B, 1981, 23 (12) :6512-6523

[27] HARTREE-FOCK THEORY OF THE INHOMOGENEOUS ELECTRON-GAS AT A JELLIUM METAL-SURFACE - RIGOROUS UPPER BOUNDS TO THE SURFACE-ENERGY AND ACCURATE WORK FUNCTIONS [J].

SAHNI, V ;

MA, CQ .

PHYSICAL REVIEW B, 1980, 22 (12) :5987-5996

[28] METAL-SURFACE PROPERTIES IN LINEAR POTENTIAL APPROXIMATION [J].

SAHNI, V ;

KRIEGER, JB ;

GRUENEBAUM, J .

PHYSICAL REVIEW B, 1977, 15 (04) :1941-1949

[29] REMARKS ON LOCAL AND NONLOCAL EXCHANGE AND CORRELATION-ENERGY CALCULATIONS OF SURFACE ENERGIES AND WORK-FUNCTIONS [J].

SAHNI, V ;

GRUENEBAUM, J .

PHYSICAL REVIEW B, 1982, 25 (10) :6275-6280

[30] GRADIENT EXPANSION OF THE EXCHANGE ENERGY DENSITY FUNCTIONAL - A COMPLEMENTARY EXPANSION OF THE ATOMIC-ENERGY FUNCTIONAL [J].

SHIH, CC ;

MURPHY, DR ;

WANG, WP .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (03) :1340-1343

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