Simplest doubly charged negative ion: Nonexistence ofH2resonances

Abstract
Two independent types of ab initio calculations for three electrons in the field of a proton have been carried out. Neither calculation shows any evidence for the existence of a resonant state of H2 contributing to e+H inelastic scattering, at energies above the three-electron escape threshold. One of the methods used is based on an eigenchannel R-matrix calculation carried out within a reaction volume of finite radius r0, followed by an averaging procedure over r0. A second method is based on a configuration-interaction study of the dependence of the 2s22p 2 Po resonance on the nuclear charge Z. These calculations suggest that previous experimental and theoretical studies of this system were in erroneous agreement that two 2 Po resonances exist in H2 above the three-electron escape threshold. We also show that the earlier apparent agreement between experimental and theoretical resonance properties would violate unitarity of the collision matrix.

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