Abstract
A new technique for the determination of atomic valence states and their energies has been developed and applied to the water molecule and hydroxyl radical. This method is applicable to valence-bond studies involving a large number of resonance structures rather than simply a one structure perfect pairing approach. The original basis of resonance structures is transformed into a basis of approximate composite functions which are orthogonal and non-interacting for the separated atoms. The equilibrium molecular eigenfunction is analyzed in terms of the composite functions by means of structure projections. A description of the valence states and the promotional energies of each of the component atoms in H2O and OH is obtained.
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