Theoretical studies of nonvalence correlation-bound anions

Nonvalence correlation-bound anion states have been investigated using state-of-the-art ab initio methodologies as well as by model potential approaches. In nonvalence correlation-bound anion states the excess electron occupies a very extended orbital with the binding to the molecule or cluster being dominated by long-range correlation effects. Failure of conventional Hartree-Fock reference based approaches for treating these anionic states is discussed. Ab initio approaches that go beyond Hartree-Fock orbitals, such as Green's function, and equation-of-motion methods are used to characterize nonvalence correlation-bound anion states of a variety of systems including C$_{60}$ and C$_6$F$_6$. Edge-bound nonvalence correlation-bound anionic states are established for polycyclic aromatics. Accurate one-electron model potential approaches, parametrized using the results of ab initio calculations, are described. The model potentials are used to study nonvalence correlation-bound anion states of large water clusters as well as ``superatomic'' states of fullerene systems.\\[4pt] [1] V. K. Voora, and K. D. Jordan, {\em Nano Lett.}, {\bf 2014}, {\em 14 }(8), pp 4602-4606.