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Gaussian basis sets for the rare earths

1980; American Institute of Physics; Volume: 72; Issue: 6 Linguagem: Inglês

10.1063/1.439584

1520-9032

Hendrik Ubbo van Piggelen, W. C. Nieuwpoort, G.A. van der Velde,

Nuclear physics research studies

Extended Gaussian basis sets have been calculated for the neutral and trivalent rare earth atoms. The characteristics of these sets, which are available on request, are reported. The quality of the wave functions is discussed on the basis of a comparison of a number of calculated properties with those of numerical Hartree–Fock calculations. The agreement shown is very satisfactory.