AN EMBEDDED-MOLECULAR-CLUSTER METHOD FOR CALCULATING THE ELECTRONIC-STRUCTURE OF POINT-DEFECTS IN NON-METALLIC CRYSTALS .1. GENERAL-THEORY

被引:63
作者
KANTOROVICH, LN
机构
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1988年 / 21卷 / 29期
关键词
D O I
10.1088/0022-3719/21/29/004
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:5041 / 5056
页数:16
相关论文
共 59 条
  • [1] EXTENDED POLARIZABLE ION LATTICE MODEL
    ABARENKO.IV
    ANTONOVA, IM
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 1974, 64 (02): : 747 - 756
  • [2] Abarenkov I. V., 1970, Physica Status Solidi A, V2, P865, DOI 10.1002/pssa.19700020424
  • [3] F-CENTER IN KCL WITH EXTENDED POLARIZABLE ION LATTICE MODEL
    ABARENKOV, IV
    ANTONOVA, IM
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 1974, 65 (01): : 325 - 332
  • [4] AGRONOVICH VM, 1968, THEORY EXCITONS
  • [5] THE LCAO APPROACH TO THE EMBEDDING PROBLEM
    BARAFF, GA
    SCHLUTER, M
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (22): : 4383 - 4391
  • [6] BERSUKER IB, 1976, ELECTRONIC STRUCTURE
  • [7] PHOTON PHONON INTERACTION INFLUENCE ON THE EXTERNAL VIBRATION-SPECTRA OF MOLECULAR-CRYSTALS
    BOTVICH, AN
    SHABANOV, VF
    VTYURIN, AN
    POZDNYAKOVA, TA
    [J]. PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1986, 134 (02): : 515 - 522
  • [8] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL .2. CHARGE-QUADRUPOLE ENERGY
    BOUNDS, PJ
    MUNN, RW
    [J]. CHEMICAL PHYSICS, 1981, 59 (1-2) : 41 - 45
  • [9] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL
    BOUNDS, PJ
    MUNN, RW
    [J]. CHEMICAL PHYSICS, 1979, 44 (01) : 103 - 112
  • [10] BOUNDS PJ, 1983, CHEM PHYS, V74, P307