Zusammenfassung

The scalar-relativistic energy-consistent 3-valence-electron (3-ve) pseudopotentials of the Stuttgart group for the heavy group 13 atoms Ga-Tl have been supplemented by small-core (13-ve and 21-ve) ones as well as by spin-orbit potentials adjusted to Dirac-Fock data. These potentials have been applied, in correlated valence ab initio calculations, to atomic spin-orbit splittings as well as to ground- and excited-state potential curves of the TlAr complex. © 1997 Elsevier Science B.V.

Links und Ressourcen

DOI:
10.1016/S0301-0104(97)00043-8
URL:
BibTeX-Schlüssel:
Leininger1997a
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