Thesis (Ph. D.)--University of Oregon, 2005. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 218-220). Also available for download via the World Wide Web; free to University of Oregon users.

Thesis (Ph. D.)--Ohio University, June, 1995. / Title from PDF t.p.

Thesis (Ph. D.)--University of Oregon, 2006. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 134-140). Also available for download via the World Wide Web; free to University of Oregon users.

A quantum/semiclassical theory for the internal nuclear dynamics of a small molecule and the induced small-amplitude coherent motion of a low-temperature host medium is developed, tested and applied to simulate and interpret ultrafast optical signals. Linear wave-packet interferometry and time-resolved coherent anti-Stokes Raman scattering signals for a model of molecular iodine in a 2D krypton lattice are calculated and used to study the vibrational decoherence and energy dissipation of iodine molecules in condensed media. The total wave function of the whole model is approximately obtained instead of a reduced system density matrix, and therefore the theory enables us to analyze the behavior and the role of the host matrix in quantum dynamics. This dissertation includes previously published co-authored material.

QC 20100629

A novel method for integrating the time-dependent Schrödinger equation is presented. The moving boundary truncation (MBT) method is a time-dependent adaptive method that can significantly reduce the number of grid points needed to perform accurate wave packet propagation while maintaining stability. Hydrodynamic quantum trajectories are used to adaptively define the boundaries and boundary conditions of a fixed grid. The result is a significant reduction in the number of grid points needed to perform accurate calculations. A variety of model potential energy surfaces are used to evaluate the method. Excellent agreement with fixed boundary grids was obtained for each example. By moving only the boundary points, stability was increased to the level of the full fixed grid. Variations of the MBT method are developed which allow it to be applied to any potential energy surface and used with any propagation method. A variation of MBT is applied to the collinear H+H₂ reaction (using a LEPS potential) to demonstrate the stability and accuracy. Reaction probabilities are calculated for the three dimensional non-rotating O(³P)+H₂ and O(³P)+HD reactions to demonstrate that the MBT can be used with a variety of numerical propagation techniques. / text

Thesis (Ph. D.)--Florida State University, 2003. / Advisor: Dr. Oliver Steinbock, Florida State University, College of Arts and Sciences, Dept. of Chemistry and Biochemistry. Title and description from dissertation home page (Aug. 27, 2004). Includes bibliographical references.

Thesis (Ph. D.)--University of Texas at Austin, 2008. / Vita. Includes bibliographical references.

Thesis (Ph. D.)--University of Missouri-Columbia, 1996. / Typescript. Vita. Includes bibliographical references (leaves 262-263). Also available on the Internet.

Thesis (Ph. D.)--University of Missouri-Columbia, 1996. / Typescript. Vita. Includes bibliographical references (leaves 262-263). Also available on the Internet.