VARIATIONAL PROCEDURE FOR SYMMETRY-ADAPTED WANNIER FUNCTIONS

被引:29
|
作者
BOEHM, JV
CALAIS, JL
机构
[1] NORDITA,DK-2100 COPENHAGEN O,DENMARK
[2] TECH UNIV DENMARK,DEPT CHEM B,DK-2800 LYNGBY,DENMARK
来源
关键词
D O I
10.1088/0022-3719/12/18/010
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:3661 / 3675
页数:15
相关论文
共 50 条
  • [21] Symmetry-adapted equilibrium matrices
    Kangwai, RD
    Guest, SD
    INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES, 2000, 37 (11) : 1525 - 1548
  • [22] Second Harmonic Generation Susceptibilities from Symmetry Adapted Wannier Functions
    Lei, Bing-Hua
    Pan, Shilie
    Yang, Zhihua
    Cao, Chao
    Singh, David J.
    PHYSICAL REVIEW LETTERS, 2020, 125 (18)
  • [23] A SYMMETRY-ADAPTED FLEXIBILITY APPROACH FOR MULTISTORY SPACE FRAMES .2. SYMMETRY-ADAPTED LOADS
    ZINGONI, A
    PAVLOVIC, MN
    ZLOKOVIC, GM
    STRUCTURAL ENGINEERING REVIEW, 1995, 7 (02): : 121 - 130
  • [24] Algebraic expressions for symmetry-adapted functions of the icosahedral group in spinor space
    Fan, PD
    Chen, JQ
    Draayer, JP
    ACTA CRYSTALLOGRAPHICA SECTION A, 1999, 55 : 1049 - 1060
  • [25] A NEW VERSION OF THE PROGRAM FOR THE GENERATION OF SYMMETRY-ADAPTED FUNCTIONS FOR MOLECULAR CALCULATIONS
    SKALA, L
    COMPUTER PHYSICS COMMUNICATIONS, 1990, 58 (03) : 343 - 344
  • [26] MODY: a program for calculation of symmetry-adapted functions for ordered structures in crystals
    Sikora, W
    Bialas, F
    Pytlik, L
    JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2004, 37 : 1015 - 1019
  • [27] Three-dimensional reconstruction of Icosahedral virus by symmetry-adapted functions
    Liu Hong-Rong
    Yang Qi-Bin
    Cheng Ling-Peng
    Zeng Song-Jun
    Cai Can-Ying
    CHINESE PHYSICS LETTERS, 2007, 24 (06) : 1767 - 1770
  • [28] APPLICATION OF SYMMETRY-ADAPTED PAIR FUNCTIONS IN ATOMIC-STRUCTURE CALCULATIONS - VARIATIONAL-PERTURBATION TREATMENT OF THE NE ATOM
    JANKOWSKI, K
    MALINOWSKI, P
    PHYSICAL REVIEW A, 1980, 21 (01) : 45 - 65
  • [29] Generalized symmetry-adapted interpolation procedure for finding transition states in internal rotations
    Cardenas-Lailhacar, C
    Zerner, MC
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (4-5) : 563 - 576
  • [30] Symmetry-adapted modeling for molecules and crystals
    Kusunose, Hiroaki
    Oiwa, Rikuto
    Hayami, Satoru
    PHYSICAL REVIEW B, 2023, 107 (19)