%0 Journal Article %1 Leininger1997a %A Leininger, Thierry %A Berning, Andreas %A Nicklass, Andreas %A Stoll, Hermann %A Werner, Hans Joachim %A Flad, Heinz Jürgen %D 1997 %J Chem. Phys. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 1 %P 19–27 %R 10.1016/S0301-0104(97)00043-8 %T Spin-orbit interaction in heavy group 13 atoms and TlAr %U http://dx.doi.org/10.1016/S0301-0104(97)00043-8 %V 217 %X 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.

@article{Leininger1997a, abstract = {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. {\textcopyright} 1997 Elsevier Science B.V.}, added-at = {2019-03-01T15:49:43.000+0100}, author = {Leininger, Thierry and Berning, Andreas and Nicklass, Andreas and Stoll, Hermann and Werner, Hans Joachim and Flad, Heinz J{\"{u}}rgen}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2ef57f501ab589557f7b4b287335494fc/theochem}, doi = {10.1016/S0301-0104(97)00043-8}, interhash = {d52224ef6bf68baf61e0c881b9ef34b9}, intrahash = {ef57f501ab589557f7b4b287335494fc}, issn = {03010104}, journal = {Chem. Phys.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, month = apr, number = 1, pages = {19–27}, timestamp = {2019-03-01T14:49:43.000+0100}, title = {{Spin-orbit interaction in heavy group 13 atoms and TlAr}}, url = {http://dx.doi.org/10.1016/S0301-0104(97)00043-8}, volume = 217, year = 1997 }