Convergence of approximate two-component Hamiltonians: how far is the Dirac limit.

Abstract

A systematic elimination of the off-diagonal parts of the Dirac Hamiltonian is carried out in the spirit of the Douglas-Kroll [Ann. Phys. 82, 87 1974] approach and the recently proposed infinite-order two-component method. The present approach leads to a series of approximate two-component Hamiltonians which are exact through a certain order in the external… (More)

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Cite this paper

@article{Kdziera2005ConvergenceOA, title={Convergence of approximate two-component Hamiltonians: how far is the Dirac limit.}, author={Dariusz Kȩdziera}, journal={The Journal of chemical physics}, year={2005}, volume={123 7}, pages={074109} }