Abstract

In this paper we consider the effects of two-electron, one-center interactions when added to the one-electron, two-center molecular orbital model. There are, therefore, two parameters considered: The standard Hückel β (two-center, one-electron) term and the Hubbard one-center, two-electron term U. It is shown how the change in the ground state as one changes the U/β ratio is highly dependent on the presence or absence of odd member rings.

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