Journal of Chemical Physics, Vol.102, No.23, 9296-9308, 1995
Density-Functional Calculations of Lanthanide Oxides
Keywords:RARE-EARTH ELEMENTS;FOCK-SLATER METHOD;ELECTRONIC-STRUCTURE;LASER SPECTROSCOPY;INTERMEDIATE NEGLECT;CORRELATION ENERGIES;EXCHANGE-ENERGY;GROUND-STATE;PSEUDOPOTENTIALS;MONOXIDES