Expansion methods for the Dirac equation
- 1 May 1984
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (9) , 4333-4340
- https://doi.org/10.1063/1.447264
Abstract
The applicability of expansion methods to the solution of the Dirac equation is investigated. Criteria are given to distinguish between acceptable and spurious solutions. A careful analysis of the computed eigenvalues as functions of the nonlinear parameters characterizing the basis functions is presented. A definition is given for the measure of the error of the wave function which is calculated by a variational method based on a minimum principle. Illustrative numerical calculations are presented for the one-particle Dirac equation involving Coulomb and modified Coulomb potentials.Keywords
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