Author/Authors :
Czuchaj، نويسنده , , E. and Rebentrost، نويسنده , , F. and Stoll، نويسنده , , H. and Preuss، نويسنده , , H.، نويسنده ,
Abstract :
MRCI(SD) calculations have been performed for the adiabatic potential curves and dipole transition moments of diatomic zinc. Only the four valence electrons of the system are treated explicitly, whereas the atomic cores are replaced by the energy-adjusted pseudopotentials. The spin-orbit coupling has not been considered.
