Applications of a simple molecular wavefunction. Part 12.—Open-shell floating spherical Gaussian orbital calculations for some atoms and ions
Abstract
The results of open-shell calculations in which electrons are assigned singly to orbitals represented by single spherical Gaussian functions, a single determinant being used, are presented for atoms and atomic ions containing 10 electrons or less. The ionization energies, electron affinities and energies of excitation obtained are discussed, and possible reasons for success and failure examined.