SQR-SCF energies of the rare gases and Lr using GTF and -spline (in hartree).
Deviations of SQR-SCF energies for Kr given by several -spline sets from the SQR-SCF limit energy given by GTF (in ).
Deviations of DK3-SCF energies for Kr given by several -spline sets from the result given by the 100-term -spline set with and (in ).
DK3-SCF energies for atoms H to Uuo (in hartree) and their deviations from the results of Nakajima and Hirao (in mhartree).
Article metrics loading...
Full text loading...