I. The Projected GI Method and the Excited States of H₂. II. A Superposition Principle for Siegert Resonant States

Author: Huestis, David Lee

Year: 1973

Degree: Dissertation (Ph.D.)

Advisor: Goddard, William A., III

Committee Member: Unknown, Unknown

Option: Chemistry; Physics

DOI: 10.7907/zqek-hg39

Abstract

The simplest orbital wavefunction that adequately describes the dissociation of the excited states of homonuclear diatomic molecules must involve a spatial symmetry projection operator. The use of such a wavefunction has been developed in detail and applied to the excited states of the hydrogen molecule. It was found that the advantages of an independent-particle description are enhanced considerably by spatial projection. The low-lying Σ states of H_2 are explained unambiguously and convincingly in terms of orbital character based on the model of the one-electron heteronuclear diatomics.

Recent experimental work in electron impact spectroscopy has illustrated that short-lived negative-ion resonances must play an important role. In an attempt to show that such resonances form a natural and complete characterization of the scattering process, the properties of the resonant states defined by Siegert have been investigated. In specific, a superposition principle for Siegert states was found, which provides a complete description of any quantum mechanical event involving a potential of finite range.

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