Browsing by Author "Risser, S. M."
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Article
Bridge-mediated electronic interactions: Differences between Hamiltonian and Green function partitioning in a non-orthogonal basis
Priyadarshy, S.; Skourtis, Spiros S.; Risser, S. M.; Beratan, David N. (1996)An analysis of the partitioning (projection) technique is given with emphasis on non-orthogonal basis sets. The general expression for the effective Hamiltonian obtained via Löwdin partitioning of the Schrödinger equation ...