Dual kinetic balance approach to basis-set expansions for the dirac equation

Phys Rev Lett. 2004 Sep 24;93(13):130405. doi: 10.1103/PhysRevLett.93.130405. Epub 2004 Sep 22.

Abstract

A new approach to finite basis sets for the Dirac equation is developed. It does not involve spurious states and improves the convergence properties of basis-set calculations. 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.