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Original Articles

A SIMPLIFICATION IN THE THEORETICAL PRESENTATION OF CHARGE-TRANSFER INTERACTIONS

Pages 95-102 | Published online: 21 Mar 2007
 

Abstract

By applying paired unitary transformations to the molecular orbitals of the electron donor and the electron acceptor, the orbitals that participate actually in charge-transfer interactions are derived. These orbitals are seen to be localized in some particular regions of the donor and acceptor, specifying the type of interaction. The charge-transfer interaction is condensed into several electron configurations.

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