LOCALIZED D STATES FOR PSEUDOPOTENTIAL CALCULATIONS - APPLICATION TO ALKALINE-EARTH METALS

被引：68

作者：

MORIARTY, JA ^{[1
]}

机构：

[1] UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544

来源：

PHYSICAL REVIEW B | 1972年 / 6卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.6.4445

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：4445 / 4458

页数：14

共 23 条

[1] ELECTRONIC THEORY OF PHASE TRANSITIONS IN CA SR AND BA UNDER PRESSURE [J].

ANIMALU, AOE .

PHYSICAL REVIEW, 1967, 161 (02) :445-&

[2] SCREENED MODEL POTENTIAL FOR 25 ELEMENTS [J].

ANIMALU, AOE ;

HEINE, V .

PHILOSOPHICAL MAGAZINE, 1965, 12 (120) :1249-&

[3] TOTAL ELECTRONIC BAND STRUCTURE ENERGY FOR 29 ELEMENTS [J].

ANIMALU, AOE .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 294 (1438) :376-&

[4] STRUCTURE AND RESISTIVITY OF LIQUID METALS [J].

ASHCROFT, NW ;

LEKNER, J .

PHYSICAL REVIEW, 1966, 145 (01) :83-&

[5] GENERAL THEORY OF PSEUDOPOTENTIALS [J].

AUSTIN, BJ ;

SHAM, LJ ;

HEINE, V .

PHYSICAL REVIEW, 1962, 127 (01) :276-&

[6] ENERGY BAND STRUCTURE OF LITHIUM BY A MODIFIED PLANE WAVE METHOD [J].

BROWN, E ;

KRUMHANSL, JA .

PHYSICAL REVIEW, 1958, 109 (01) :30-35

[7] MODIFICATION OF ORTHOGONALIZED-PLANE-WAVE METHOD APPLIED TO COPPER [J].

BUTLER, FA ;

BLOOM, FK ;

BROWN, E .

PHYSICAL REVIEW, 1969, 180 (03) :744-&

[8] CANCELLATION OF KINETIC AND POTENTIAL ENERGY IN ATOMS, MOLECULES, AND SOLIDS [J].

COHEN, MH ;

HEINE, V .

PHYSICAL REVIEW, 1961, 122 (06) :1821-&

[9] MODIFICATIONS TO ORTHOGONALIZED-PLANE-WAVE METHOD FOR USE IN TRANSITION METALS - ELECTRONIC BAND STRUCTURE OF NIOBIUM [J].

DEEGAN, RA ;

TWOSE, WD .

PHYSICAL REVIEW, 1967, 164 (03) :993-&

[10] TRANSITION-METAL PSEUDOPOTENTIALS [J].

HARRISON, WA .

PHYSICAL REVIEW, 1969, 181 (03) :1036-&

← 1 2 3 →