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Approximate Molecular Orbitals IV: The 3pσu and 4fσu states of H2+

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Published under licence by IOP Publishing Ltd
, , Citation A Dalgarno and J T Lewis 1956 Proc. Phys. Soc. A 69 285 DOI 10.1088/0370-1298/69/4/301

0370-1298/69/4/285

Abstract

A variational method is used to obtain approximate wave functions for the 3pσu and 4fσu states of H2+ and their accuracy is assessed by comparing various quantities computed using them with the exact values of these quantities. The dependence of the kinetic and potential energies on the nuclear separation is discussed. A brief summary of the conclusions of this series of papers is presented.

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10.1088/0370-1298/69/4/301