A SIMPLE IMPROVED ITERATION SCHEME FOR ELECTRONIC-STRUCTURE CALCULATIONS

被引:29
作者
AKAI, H
DEDERICHS, PH
机构
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1985年 / 18卷 / 12期
关键词
D O I
10.1088/0022-3719/18/12/009
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:2455 / 2460
页数:6
相关论文
共 11 条
  • [1] AKAI H, 1985, PHIL MAG
  • [2] NEW APPROACH FOR SOLVING THE DENSITY-FUNCTIONAL SELF-CONSISTENT-FIELD PROBLEM
    BENDT, P
    ZUNGER, A
    [J]. PHYSICAL REVIEW B, 1982, 26 (06): : 3114 - 3137
  • [3] SELF-CONSISTENT CLUSTER CALCULATIONS WITH CORRECT EMBEDDING FOR 3D, 4D, AND SOME SP IMPURITIES IN COPPER
    BRASPENNING, PJ
    ZELLER, R
    LODDER, A
    DEDERICHS, PH
    [J]. PHYSICAL REVIEW B, 1984, 29 (02): : 703 - 718
  • [4] SELF-CONSISTENCY ITERATIONS IN ELECTRONIC-STRUCTURE CALCULATIONS
    DEDERICHS, PH
    ZELLER, R
    [J]. PHYSICAL REVIEW B, 1983, 28 (10): : 5462 - 5472
  • [5] Friedel J., 1958, NUOVO CIM, V7, P287, DOI DOI 10.1007/BF02751483
  • [6] HAGEMAN LA, 1981, APPLIED ITERATIVE ME
  • [7] DIELECTRIC MATRIX SCHEME FOR FAST CONVERGENCE IN SELF-CONSISTENT ELECTRONIC-STRUCTURE CALCULATIONS
    HO, KM
    IHM, J
    JOANNOPOULOS, JD
    [J]. PHYSICAL REVIEW B, 1982, 25 (06): : 4260 - 4262
  • [8] FERROMAGNETIC DILUTE ALLOYS
    KANAMORI, J
    [J]. JOURNAL OF APPLIED PHYSICS, 1965, 36 (3P2) : 929 - &
  • [9] KUNC K, 1981, PHYS REV B, V24, P3442
  • [10] Marchuk GI., 1975, METHODS NUMERICAL MA