PSEUDOPOTENTIAL LOCAL-SPIN-DENSITY CALCULATIONS FOR SI-2

被引：28

作者：

NORTHRUP, JE ^{[1
]}

YIN, MT ^{[1
]}

COHEN, ML ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, DIV MAT & MOLEC RES, BERKELEY, CA 94720 USA

来源：

PHYSICAL REVIEW A | 1983年 / 28卷 / 04期

关键词：

D O I：

10.1103/PhysRevA.28.1945

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：1945 / 1950

页数：6

共 27 条

[1] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[2] SELF-CONSISTENT PSEUDOPOTENTIAL METHOD FOR LOCALIZED CONFIGURATIONS - MOLECULES [J].

COHEN, ML ;

SCHLUTER, M ;

CHELIKOWSKY, JR ;

LOUIE, SG .

PHYSICAL REVIEW B, 1975, 12 (12) :5575-5579

[3] THE SPECTRUM OF THE SI-2 MOLECULE [J].

DOUGLAS, AE .

CANADIAN JOURNAL OF PHYSICS, 1955, 33 (12) :801-810

[4] A MASS SPECTROMETRIC METHOD FOR THE DETERMINATION OF DISSOCIATION ENERGIES OF DIATOMIC MOLECULES [J].

DROWART, J ;

HONIG, RE .

JOURNAL OF PHYSICAL CHEMISTRY, 1957, 61 (07) :980-985

[5] 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

[6] NORM-CONSERVING PSEUDOPOTENTIALS [J].

HAMANN, DR ;

SCHLUTER, M ;

CHIANG, C .

PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497

[7]

HARRIS J, 1978, PHYS REV A, V18, P2159, DOI 10.1103/PhysRevA.18.2159

[8] PSEUDOPOTENTIALS IN DENSITY-FUNCTIONAL THEORY [J].

HARRIS, J ;

JONES, RO .

PHYSICAL REVIEW LETTERS, 1978, 41 (03) :191-194

[9] SOLID-STATE APPROACH TO SCF XALPHA MOLECULAR EQUATIONS [J].

HO, KM ;

COHEN, ML ;

SCHLUTER, M .

CHEMICAL PHYSICS LETTERS, 1977, 46 (03) :608-610

[10] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

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