PSEUDOPOTENTIAL METHODS IN CONDENSED MATTER APPLICATIONS

被引:670
作者
PICKETT, WE
机构
来源
COMPUTER PHYSICS REPORTS | 1989年 / 9卷 / 03期
关键词
D O I
10.1016/0167-7977(89)90002-6
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
引用
收藏
页码:115 / 197
页数:83
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  • [1] NONLOCAL PSEUDOPOTENTIALS IN MOLECULAR-DYNAMIC DENSITY-FUNCTIONAL THEORY - APPLICATION TO SIO2
    ALLAN, DC
    TETER, MP
    [J]. PHYSICAL REVIEW LETTERS, 1987, 59 (10) : 1136 - 1139
  • [2] ANOMALOUS RESISTIVITIES OF A15 METALS - INSIGHTS FROM BAND THEORY
    ALLEN, PB
    PICKETT, WE
    HO, KM
    COHEN, ML
    [J]. PHYSICAL REVIEW LETTERS, 1978, 40 (23) : 1532 - 1534
  • [3] ITERATIVE PROCEDURES FOR NONLINEAR INTEGRAL EQUATIONS
    ANDERSON, DG
    [J]. JOURNAL OF THE ACM, 1965, 12 (04) : 547 - &
  • [4] ABINITIO PSEUDOPOTENTIAL DESCRIPTION OF COHESION IN NACL
    ANDREONI, W
    MASCHKE, K
    SCHLUTER, M
    [J]. PHYSICAL REVIEW B, 1982, 26 (04): : 2314 - 2316
  • [5] SI(100) SURFACE RECONSTRUCTION - SPECTROSCOPIC SELECTION OF A STRUCTURAL MODEL
    APPELBAUM, JA
    BARAFF, GA
    HAMANN, DR
    [J]. PHYSICAL REVIEW LETTERS, 1975, 35 (11) : 729 - 732
  • [6] ELECTRONIC-STRUCTURE OF SOLID-SURFACES
    APPELBAUM, JA
    HAMANN, DR
    [J]. REVIEWS OF MODERN PHYSICS, 1976, 48 (03) : 479 - 496
  • [7] GAAS(100) - ITS SPECTRUM, EFFECTIVE CHARGE, AND RECONSTRUCTION PATTERNS
    APPELBAUM, JA
    BARAFF, GA
    HAMANN, DR
    [J]. PHYSICAL REVIEW B, 1976, 14 (04): : 1623 - 1632
  • [8] SELF-CONSISTENT QUANTUM-THEORY OF CHEMISORPTION - H ON SI(111)
    APPELBAUM, JA
    HAMANN, DR
    [J]. PHYSICAL REVIEW LETTERS, 1975, 34 (13) : 806 - 809
  • [9] SURFACE STATES AND SURFACE BONDS OF SI(111)
    APPELBAUM, JA
    HAMANN, DR
    [J]. PHYSICAL REVIEW LETTERS, 1973, 31 (02) : 106 - 109
  • [10] SI (100) SURFACE .2. THEORETICAL-STUDY OF RELAXED SURFACE
    APPELBAUM, JA
    BARAFF, GA
    HAMANN, DR
    [J]. PHYSICAL REVIEW B, 1975, 12 (12): : 5749 - 5757