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Accurate solution of the Dirac equation on Lagrange meshes
Daniel Baye1, Livio Filippin2, Michel Godefroid2
1Physique Quantique, C. P. 165/82, and Physique Nucléaire Théorique et Physique Mathématique, C. P. 229, Université Libre de Bruxelles (ULB), B-1050 Brussels, Belgium.
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.
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