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Application of the Schwinger multichannel method to multichannel studies of electronically inelastic electron-molecule collisions

Posted on:1995-11-08Degree:Ph.DType:Dissertation
University:California Institute of TechnologyCandidate:Pritchard, Howard PorterFull Text:PDF
GTID:1478390014491695Subject:Chemistry
Abstract/Summary:
We have applied the Schwinger Multichannel Method (SMC) to the study of electronically inelastic, low energy electron-molecule collisions. The focus of these studies has been the assessment of the importance of multichannel coupling to the dynamics of these excitation processes. It has transpired that the promising quality of results realized in early SMC work on such inelastic scattering processes has been far more difficult to obtain in these more sophisticated studies.;In conjunction with this SVD procedure, the SMC method has been applied to the study of the H;We have attempted to understand the sources of instability of the SMC method which are evident in these multichannel studies. Particular instances of such instability have been considered in detail, which indicate that linear dependence, failure of the separable potential approximation, and difficulties in converging matrix elements involving recorrelation or Q-space terms all conspire to complicate application of the SMC method to these studies. A method involving singular value decomposition (SVD) has been developed to, if not resolve these problems, at least mitigate their deleterious effects on the computation of electronically inelastic cross sections.
Keywords/Search Tags:Electronically inelastic, Method, Multichannel, SMC, Studies
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