A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry

  • Authors:
  • Lihua Shen;Aihui Zhou

  • Affiliations:
  • -;-

  • Venue:
  • SIAM Journal on Scientific Computing
  • Year:
  • 2006

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Abstract

To produce highly accurate approximations for self-adjoint elliptic eigenvalues, we propose a finite element defect correction scheme. Its efficiency is proven by theoretical and numerical evidence. Very satisfying applications in computational quantum chemistry are also presented.