1ST-PRINCIPLES NONLOCAL-PSEUDOPOTENTIAL APPROACH IN THE DENSITY-FUNCTIONAL FORMALISM - DEVELOPMENT AND APPLICATION TO ATOMS

被引：168

作者：

ZUNGER, A ^{[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 B | 1978年 / 18卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.18.5449

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：5449 / 5472

页数：24

共 114 条

[61] SELF-CONSISTENT ELECTRONIC STATES FOR RECONSTRUCTED SI VACANCY MODELS [J].

LOUIE, SG ;

SCHLUTER, M ;

CHELIKOWSKY, JR ;

COHEN, ML .

PHYSICAL REVIEW B, 1976, 13 (04) :1654-1663

[62] STUDIES IN PERTURBATION THEORY .X. LOWER BOUNDS TO ENERGY EIGENVALUES IN PERTURBATION-THEORY GROUND STATE [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1965, 139 (2A) :A357-&

[63] STRUCTURAL STABILITY OF SUBOCTET SIMPLE BINARY COMPOUNDS [J].

MACHLIN, ES ;

CHOW, TP ;

PHILLIPS, JC .

PHYSICAL REVIEW LETTERS, 1977, 38 (22) :1292-1295

[64] DIELECTRIC SCREENING MODEL FOR LATTICE VIBRATIONS OF DIAMOND-STRUCTURE CRYSTALS [J].

MARTIN, RM .

PHYSICAL REVIEW, 1969, 186 (03) :871-&

[65] ENERGY BANDS FOR SOLID ARGON [J].

MATTHEISS, L .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A) :1399-&

[66] ENERGY BANDS FOR IRON TRANSITION SERIES [J].

MATTHEISS, LF .

PHYSICAL REVIEW, 1964, 134 (4A) :A970-+

[67]

MELIUS CF, 1972, J CHEM PHYS, V56, P3347

[68]

MOORE CE, NBS1 CIRC, P467

[69] NONLOCAL PSEUDOPOTENTIALS FOR GE AND GAAS [J].

PANDEY, KC ;

PHILLIPS, JC .

PHYSICAL REVIEW B, 1974, 9 (04) :1552-1559

[70]

Parr R. G., 1963, QUANTUM THEORY MOL E

← 2 3 4 5 6 7 8 9 10 11 →