Accurate solution of the Dirac equation on Lagrange meshes

Daniel Baye, Livio Filippin, and Michel Godefroid
Phys. Rev. E 89, 043305 – Published 10 April 2014

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/r singularity. For hydrogenic atoms, numerically exact energies and wave functions are obtained with small numbers n+1 of mesh points, where n is the principal quantum number. Numerically exact mean values of powers 2 to 3 of the radial coordinate r can also be obtained with n+2 mesh points. For the Yukawa potential, a 15-digit agreement with benchmark energies of the literature is obtained with 50 or fewer mesh points.

  • Received 12 February 2014

DOI:https://doi.org/10.1103/PhysRevE.89.043305

©2014 American Physical Society

Authors & Affiliations

Daniel Baye*

  • Physique Quantique, C. P. 165/82, and Physique Nucléaire Théorique et Physique Mathématique, C. P. 229, Université Libre de Bruxelles (ULB), B-1050 Brussels, Belgium

Livio Filippin and Michel Godefroid

  • Chimie Quantique et Photophysique, C. P. 160/09, Université Libre de Bruxelles (ULB), B-1050 Brussels, Belgium

  • *dbaye@ulb.ac.be
  • livio.filippin@ulb.ac.be
  • mrgodef@ulb.ac.be

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Issue

Vol. 89, Iss. 4 — April 2014

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