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
  • [41] Reduced projection operators and algebraic expressions for the symmetry-adapted functions of the icosahedral group
    Fan, PD
    Chen, JQ
    Draayer, JP
    ACTA CRYSTALLOGRAPHICA SECTION A, 1999, 55 : 871 - 883
  • [42] A recursive algorithm for the generation of symmetry-adapted functions: Principles and applications to the icosahedral group
    Prandl, W
    Schiebel, P
    Wulf, K
    ACTA CRYSTALLOGRAPHICA SECTION A, 1996, 52 : 171 - 175
  • [43] Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method
    Fukuda, Ryoichi
    Nakatsuji, Hiroshi
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (09):
  • [44] A SYMMETRY-ADAPTED FLEXIBILITY APPROACH FOR MULTISTORY SPACE FRAMES .1. GENERAL OUTLINE AND SYMMETRY-ADAPTED REDUNDANTS
    ZINGONI, A
    PAVLOVIC, MN
    ZLOKOVIC, GM
    STRUCTURAL ENGINEERING REVIEW, 1995, 7 (02): : 107 - 119
  • [45] Symmetry-adapted integrals over many-electron basis functions and operators
    P. Dahle
    P. R. Taylor
    Theoretical Chemistry Accounts, 2001, 105 : 401 - 407
  • [46] Hardness and the potential energy function in internal rotations: A generalized symmetry-adapted interpolation procedure
    Cardenas-Lailhacar, C
    BIOCOMPUTING, 2002, 1 : 243 - 264
  • [47] VARIATIONAL LOCALIZATION OF WANNIER FUNCTIONS
    KERTESZ, M
    BICZO, G
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1973, 60 (01): : 249 - 254
  • [48] Electrostatically embedded symmetry-adapted perturbation theory
    Glick, Caroline S.
    Alenaizan, Asem
    Cheney, Daniel L.
    Cavender, Chapin E.
    Sherrill, C. David
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (13):
  • [49] THE DERIVATION OF A SYMMETRY-ADAPTED GENERALIZED SPIN HAMILTONIAN
    BUCKMASTER, HA
    CHATTERJEE, R
    TUSZYNSKI, JA
    JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (08): : 4001 - 4004
  • [50] Symmetry-adapted correlation function for semiclassical quantization
    Hotta, K
    Takatsuka, K
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (17):