First-principles calculation for multiplet structure of emerald

被引:0
|
作者
Ishii, T [1 ]
Ogasawara, K
Ito, Y
Tanaka, I
Adachi, H
机构
[1] Kyoto Univ, Dept Mat Sci & Engn, Sakyo Ku, Kyoto 6068501, Japan
[2] Kyoto Univ, Dept Energy Sci & Technol, Sakyo Ku, Kyoto 6068501, Japan
关键词
first-principles calculation; multiplet structure;
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:85 / 96
页数:12
相关论文
共 50 条
  • [41] First-principles calculation on Ni doped ZnS
    Zeng, Dong
    Fu, Chun-Lin
    Cai, Wei
    Guo, Qian
    Tan, Ping
    Zhang, Chao-Yang
    Rengong Jingti Xuebao/Journal of Synthetic Crystals, 2013, 42 (01): : 166 - 171
  • [42] First-principles calculation of entropy for liquid metals
    Desjarlais, Michael P.
    PHYSICAL REVIEW E, 2013, 88 (06):
  • [43] FIRST-PRINCIPLES CALCULATION OF OPTICAL CONSTANTS OF PBTE
    BUSS, DD
    PARADA, NJ
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1969, 14 (01): : 29 - &
  • [44] FIRST-PRINCIPLES CALCULATION OF BULK MODULUS OF DIAMOND
    GOROFF, I
    KLEINMAN, L
    PHYSICAL REVIEW B, 1970, 1 (06): : 2574 - &
  • [45] First-principles Calculation of Elastic Constants for FeP
    Li, Jianying
    Zhang, Jing
    Cao, Qizhi
    Ouyang, Yifang
    MECHATRONICS AND INDUSTRIAL INFORMATICS, PTS 1-4, 2013, 321-324 : 1761 - +
  • [46] First-principles calculation of local atomic polarizabilities
    Lillestolen, T. C.
    Wheatley, R. J.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (43): : 11141 - 11146
  • [47] Hydrogen distribution in chondrodite: a first-principles calculation
    Kanzaki, Masami
    JOURNAL OF MINERALOGICAL AND PETROLOGICAL SCIENCES, 2016, 111 (06) : 425 - 430
  • [48] First-principles calculation of microstructural processes in alloys
    Mohri, Tetsuo
    COMPUTATIONAL MATERIALS SCIENCE, 2010, 49 (04) : S181 - S186
  • [49] First-principles calculation of the energy of compressed calcium
    Kasatkin, A. N.
    Olesnitskii, T. A.
    Sarry, M. F.
    PHYSICS OF THE SOLID STATE, 2011, 53 (03) : 443 - 454
  • [50] FIRST-PRINCIPLES CALCULATION OF THE ELECTRONIC STRUCTURE AND MAGNETISM AT THE GRAPHENE/Ni(111) INTERFACE
    Chen, L.
    Ouyang, Y.
    Pan, H. Z.
    Sun, Y. Y.
    Wang, Y. L.
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2011, 25 (21): : 2791 - 2800