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This dissertation describes new quantum mechanical methods for studying the photon-induced dissociation of three-atom molecules, and is divided into three parts.
The first part studies the infrared multiphoton dissociation of ozone. A rotating-wave-like method is used to calculate the probabability that an ozone molecule dissociates as a function of the laser frequency. The effects of vibrational and rotational motion on the dissociation probabilities are studied.
The second part studies single-photon dissociation of HCN and ICN into H + CN and I + CN. A method based on quantum R matrix scattering theory, which propagates Franck-Condon overlap information, is developed to calculate changes in rotational and vibrational quantum states of the CN fragment during the dissociation half collision.
The third part casts the single-photon dissociation theory into the finite basis representation and the discrete variable representation. The discrete variable representation simplifies the calcuation, without a loss of accuracy, by taking advantage of the fact that the CN fragment rotates little in the region where it interacts strongly with the H or I atom.
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The theory of single and multiple photon dissociation of triatomic molecules
1988
Microform
in English
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Edition Notes
Microfilm. Chicago, Ill. : University of Chicago, Joseph Regenstein Library, Dept. of Photoduplication, [1988?]. 1 microfilm reel ; 35 mm.
Thesis (Ph. D.)--University of Chicago, 1988.
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