Samzow, Reinhard; Hess, Bernd A.; Jansen, Georg:
Comment on Relativistic linear combination of Gaussian-type orbitals density-functional method based on a two-component formalism with external field projectors.
1992
In: Journal of Chemical Physics (J.Chem.Phys.), Jg. 96 (1992), Heft 8, S. 6320 - 6321
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Titel:
Comment on Relativistic linear combination of Gaussian-type orbitals density-functional method based on a two-component formalism with external field projectors.
Autor(in):
Samzow, Reinhard; Hess, Bernd A.; Jansen, Georg im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr
1992
Erschienen in:
Journal of Chemical Physics (J.Chem.Phys.), Jg. 96 (1992), Heft 8, S. 6320 - 6321
ISSN

Abstract:

A polemic. The leading order of the relativistic correction of P. Knappe and N. Roesch (ibid. 1990, 92, 1153) is in error by a factor of 2 as compared to the nonrelativistic limit of the Douglas-Knoll transformed no-pair Hamiltonian.