PSEUDOPOTENTIALS FOR THE 3D TRANSITION-METAL ELEMENTS

被引：33

作者：

GREENSIDE, HS

SCHLUTER, M

机构：

来源：

PHYSICAL REVIEW B | 1983年 / 28卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.28.535

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：535 / 543

页数：9

共 21 条

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[2] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

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BACHELET, GB ;

SCHLUTER, M .

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[4] STRUCTURAL-ENERGY CALCULATIONS BASED ON NORM-CONSERVING PSEUDOPOTENTIALS AND LOCALIZED GAUSSIAN-ORBITALS [J].

BACHELET, GB ;

GREENSIDE, HS ;

BARAFF, GA ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1981, 24 (08) :4745-4752

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[7] METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY [J].

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PHYSICAL REVIEW LETTERS, 1983, 50 (07) :488-491

[8] PSEUDOPOTENTIAL CALCULATION OF THE GROUND-STATE PROPERTIES OF FERROMAGNETIC BCC IRON [J].

GREENSIDE, HS ;

SCHLUTER, MA .

PHYSICAL REVIEW B, 1983, 27 (05) :3111-3114

[9] DENSITY FUNCTIONAL CALCULATIONS FOR ATOMS, MOLECULES AND CLUSTERS [J].

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[10] NORM-CONSERVING PSEUDOPOTENTIALS [J].

HAMANN, DR ;

SCHLUTER, M ;

CHIANG, C .

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