Abstract
Earlier (LCAO) structure calculations for H 2 + ungerade and H 2 triplet states based on the channel coupling array (CCA) theory of many-particle collisions have yielded unphysical potential energy curves. It is shown herein for H 2 + that this is a result of not requiring the CCA wavefunction components to obey a certain boundary condition. A simple ansatz obeying this condition is constructed and shown to yield a physically correct, approximate ungerade potential energy.
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