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arxiv: physics/0308083 · v1 · submitted 2003-08-22 · ⚛️ physics.atom-ph · physics.atm-clus

Dual kinetic balance approach to basis set expansions for the Dirac equation

classification ⚛️ physics.atom-ph physics.atm-clus
keywords basisapproachdiracequationfinitesetsbalancecalculating
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A new approach to finite basis sets for the Dirac equation is developed. It solves the problem of spurious states and, as a result, improves the convergence properties of basis set calculations. The efficiency of the method is demonstrated for finite basis sets constructed from B splines by calculating the one-loop self-energy correction for a hydrogenlike ion.

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