Three-scale finite element discretizations for quantum eigenvalue problems

被引:56
|
作者
Dai, Xiaoying [1 ,2 ]
Zhou, Aihui [1 ]
机构
[1] Chinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R China
关键词
eigenvalue; finite element; ground state energy; local computation; three-scale; quantum chemistry;
D O I
10.1137/06067780X
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
Based on globally and locally coupled discretizations, some three-scale finite element schemes are proposed in this paper for a class of quantum eigenvalue problems. It is shown that the solution of a quantum eigenvalue problem on a fine grid may be reduced to the solution of an eigenvalue problem on a relatively coarse grid, and the solutions of linear algebraic systems on a globally mesoscopic grid and the locally fine grid, and the resulting solution is still very satisfactory.
引用
收藏
页码:295 / 324
页数:30
相关论文
共 50 条
  • [1] Three-scale finite element eigenvalue discretizations
    X. Gao
    F. Liu
    A. Zhou
    BIT Numerical Mathematics, 2008, 48
  • [2] THREE-SCALE FINITE ELEMENT EIGENVALUE DISCRETIZATIONS
    Gao, X.
    Liu, F.
    Zhou, A.
    BIT NUMERICAL MATHEMATICS, 2008, 48 (03) : 533 - 562
  • [3] Two-scale finite element discretizations for nonlinear eigenvalue problems in quantum physics
    Hou, Pengyu
    Liu, Fang
    ADVANCES IN COMPUTATIONAL MATHEMATICS, 2021, 47 (04)
  • [4] Two-scale finite element discretizations for nonlinear eigenvalue problems in quantum physics
    Pengyu Hou
    Fang Liu
    Advances in Computational Mathematics, 2021, 47
  • [5] LOCAL AND PARALLEL FINITE ELEMENT DISCRETIZATIONS FOR EIGENVALUE PROBLEMS
    Bi, Hai
    Yang, Yidu
    Li, Hao
    SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2013, 35 (06): : A2575 - A2597
  • [6] The adaptive finite element method based on multi-scale discretizations for eigenvalue problems
    Li, Hao
    Yang, Yidu
    COMPUTERS & MATHEMATICS WITH APPLICATIONS, 2013, 65 (07) : 1086 - 1102
  • [7] Multilevel finite element discretizations based on local defect correction for nonsymmetric eigenvalue problems
    Yang, Yidu
    Han, Jiayu
    COMPUTERS & MATHEMATICS WITH APPLICATIONS, 2015, 70 (08) : 1799 - 1816
  • [8] The adaptive finite element method based on multi-scale discretizations for eigenvalue problems with homogeneous mixed boundary conditions
    Chen, Xing
    Yang, Yidu
    Han, Jiayu
    INTERNATIONAL JOURNAL OF APPLIED MATHEMATICS & STATISTICS, 2014, 52 (09): : 31 - 40
  • [9] Finite element approximations of nonlinear eigenvalue problems in quantum physics
    Chen, Huajie
    He, Lianhua
    Zhou, Aihui
    COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 2011, 200 (21-22) : 1846 - 1865
  • [10] Acceleration of stabilized finite element discretizations for the Stokes eigenvalue problem
    Hehu Xie
    Xiaobo Yin
    Advances in Computational Mathematics, 2015, 41 : 799 - 812