Molecular Rydberg dynamics Batchelor Colin Dr colin@tantallon.org.uk University of Oxford Mathematical,Physical & Life Sciences Division - Chemistry - Physical and Theoretical Chemistry Laboratory Merton College Colin Batchelor Copyright Holder Sole authorship No Third Party copyright Child Mark Prof Supervisor text thesis 2003 2003 2003 en born digital A simple theory relating the dynamics of electrons to the long-range properties of the molecular ionic core is developed for asymmetric top molecules in general and water in particular. It is combined with the molecular version of multichannel quantum defect theory developed by Fano and Jungen and applied to the resonance-enhanced multiphoton ionization spectra of Child and Glab (M. S. Child and W. G. Glab, J. Chem. Phys., 2001, 112, 3754-3765), the mass-analysed threshold ionization spectra of Dickinson et al. (H. Dickinson, S. R. Mackenzie and T. P. Softley, Phys. Chem. Chem. Phys., 2000, 2, 4669-4675) and the as-yet unpublished work of Glab on the photoelectron branching ratios of the nd and nf Rydberg lines of the water molecule. The effect of resonances between electronic and rotational motion in Rydberg molecules is investigated using multichannel quantum defect theory with special reference to the time-resolved wave packet experiments of Smith et al. (R. A. L. Smith, J. R. R. Verlet, E. D. Boleat, V. G. Stavros and H. H. Fielding, Faraday Discuss., 2000, 115, 63-70). quantum defect theory Rydberg molecule electronic spectroscopy Theoretical chemistry Spectroscopy and molecular structure Laser Spectroscopy uuid:46b5699b-1dcf-4860-8d76-09fc487a09d4 Radcliffe Science Library, Oxford http://creativecommons.org/licenses/by-nc/2.5/ DPhil Doctoral Radcliffe Science Library, Oxford uuid:46b5699b-1dcf-4860-8d76-09fc487a09d4