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

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

2003-08-22

arxiv.org/abs/physics/0308083v1

Phys. Rev. Lett. 93, 130405 (2004)

Physics

Atomic Physics

14 pages, 1 table

Scientific paper

10.1103/PhysRevLett.93.130405

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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