LINEARIZED AUGMENTED PLANE-WAVE ELECTRONIC-STRUCTURE CALCULATIONS FOR MGO AND CAO

被引：151
|
作者：
MEHL, MJ [1 ]
COHEN, RE [1 ]
KRAKAUER, H [1 ]
机构：
[1] COLL WILLIAM & MARY, DEPT PHYS, WILLIAMSBURG, VA 23185 USA
来源：
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH AND PLANETS | 1988年 / 93卷 / B7期
关键词：
D O I：
10.1029/JB093iB07p08009
中图分类号：
P [天文学、地球科学];
学科分类号：
07 ;
摘要：
引用
收藏
页码：8009 / +
相关论文
共 50 条
  • [1] A THEORETICAL INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF YRH BY THE LINEARIZED AUGMENTED PLANE-WAVE METHOD
    NEMOSHKALENKO, VV
    PLOTNIKOV, NA
    ANTONOV, VN
    PHYSICS OF METALS, 1984, 5 (02): : 367 - 370
  • [2] PLANE-WAVE ELECTRONIC-STRUCTURE CALCULATIONS ON A PARALLEL SUPERCOMPUTER
    NELSON, JS
    PLIMPTON, SJ
    SEARS, MP
    PHYSICAL REVIEW B, 1993, 47 (04): : 1765 - 1774
  • [3] ADAPTIVE RIEMANNIAN METRIC FOR PLANE-WAVE ELECTRONIC-STRUCTURE CALCULATIONS
    GYGI, F
    EUROPHYSICS LETTERS, 1992, 19 (07): : 617 - 622
  • [4] Calculations of transport properties with the linearized augmented plane-wave method
    Uehara, K
    Tse, JS
    PHYSICAL REVIEW B, 2000, 61 (03): : 1639 - 1642
  • [5] Local characteristics of the electronic structure of MgO: LCAO and plane-wave calculations
    Evarestov, RA
    Smirnov, VP
    Tupitsyn, II
    Usvyat, DE
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 104 (02) : 110 - 113
  • [6] OPERATOR APPROACH IN THE LINEARIZED AUGMENTED-PLANE-WAVE METHOD - EFFICIENT ELECTRONIC-STRUCTURE CALCULATIONS INCLUDING FORCES
    GOEDECKER, S
    MASCHKE, K
    PHYSICAL REVIEW B, 1992, 45 (04): : 1597 - 1604
  • [7] LINEARIZED AUGMENTED-PLANE-WAVE CALCULATION OF THE ELECTRONIC-STRUCTURE AND TOTAL ENERGY OF TUNGSTEN
    WEI, SH
    KRAKAUER, H
    WEINERT, M
    PHYSICAL REVIEW B, 1985, 32 (12): : 7792 - 7797
  • [8] LINEAR-RESPONSE CALCULATIONS WITHIN THE LINEARIZED AUGMENTED PLANE-WAVE METHOD
    YU, R
    KRAKAUER, H
    PHYSICAL REVIEW B, 1994, 49 (07): : 4467 - 4477
  • [9] LINEARIZED AUGMENTED PLANE-WAVE METHOD FOR THE ELECTRONIC BAND-STRUCTURE OF THIN-FILMS
    KRAKAUER, H
    POSTERNAK, M
    FREEMAN, AJ
    PHYSICAL REVIEW B, 1979, 19 (04) : 1706 - 1719
  • [10] TREATMENT OF SEMICORE STATES IN THE LINEARIZED AUGMENTED-PLANE-WAVE METHOD AND OTHER LINEARIZED ELECTRONIC-STRUCTURE METHODS
    GOEDECKER, S
    PHYSICAL REVIEW B, 1993, 47 (15): : 9881 - 9883
12345