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Accurate solution of the Dirac equation on Lagrange meshes

Atomic Physics 2014-04-23 v1

Abstract

The Lagrange-mesh method is an approximate variational method taking the form of equations on a grid because of the use of a Gauss quadrature approximation. With a basis of Lagrange functions involving associated Laguerre polynomials related to the Gauss quadrature, the method is applied to the Dirac equation. The potential may possess a 1/r1/r singularity. For hydrogenic atoms, numerically exact energies and wave functions are obtained with small numbers n+1n+1 of mesh points, where nn is the principal quantum number. Numerically exact mean values of powers 2-2 to 3 of the radial coordinate rr can also be obtained with n+2n+2 mesh points. For the Yukawa potential, a 15-digit agreement with benchmark energies of the literature is obtained with 50 mesh points or less.

Keywords

Cite

@article{arxiv.1404.5409,
  title  = {Accurate solution of the Dirac equation on Lagrange meshes},
  author = {Daniel Baye and Livio Filippin and Michel Godefroid},
  journal= {arXiv preprint arXiv:1404.5409},
  year   = {2014}
}
R2 v1 2026-06-22T03:55:27.483Z