Universal basis sets for low-lying excited states of some positive and negative ions

Abstract

The generator coordinate Hartree–Fock method is used to generate universal basis sets (UBSs) of Gaussian- and Slater-type functions for low-lying excited states of some mono-positive and -negative ions. From our basis sets the total energies are calculated and compared with the corresponding results obtained with other UBSs and with fully-optimized basis sets of STFs.