Abstract
Se3 and Te3 exist as the S3 molecule in an open C2v and a closed D3h form with different electronic configurations but nearly the same total energy. The ionization spectra of Se3 and Te3 are calculated in both the C2v and D3h forms by many-body Green’s function methods. The D3h forms behave quite regularly, but very strong correlation effects are found in the C2v forms. If a theory accurate to third order is used, satellite lines appear at the ionization threshold. If higher order terms are included the satellite lines at the ionization threshold experience a slight change in energy, but a considerable reduction of intensity. Se3 has a positive electron affinity in both the C2v and D3h forms (2B1, 2A′2, states), and Te3 appears to have two positive electron affinities (2B1, 2A1 for the C2v form and 2A2 and 2E′ for the D3h form).
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