{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/77035"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/77035","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Reactive Scattering of an Atom by a Diatom: The Coupled Arrangement Wavefunction Method","abstract":"A formalism for reactive scattering in three dimensions is developed. It is shown to be equivalent to the coupled T and K operator methods of Kouri, Craigie and Secrest. The relationship between the two methods shows that the coupled operator methods as previously presented are computationally not useful. The present method, the coupled arrangement wavefunction (CAW) method, is developed and specialized for e('-) + H scattering. Computational results are presented for this system with an internal basis set of up to three functions. These results find a Feshbach resonance below the first excitation threshold, in agreement with experiments and previous calculations.","abstract_html":"A formalism for reactive scattering in three dimensions is developed. It is shown to be equivalent to the coupled T and K operator methods of Kouri, Craigie and Secrest. The relationship between the two methods shows that the coupled operator methods as previously presented are computationally not useful. The present method, the coupled arrangement wavefunction (CAW) method, is developed and specialized for e('-) + H scattering. Computational results are presented for this system with an internal basis set of up to three functions. These results find a Feshbach resonance below the first excitation threshold, in agreement with experiments and previous calculations.","abstract_has_math":false,"creators":["Eccles, Joseph"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemical Engineering","degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-05-13T15:17:45Z","date_published":"2015-05-13T15:17:45Z","updated_at":"2026-07-22T22:26:10Z","subjects":["Chemistry, Physical"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(UMI)AAI8026487"],"render_values":[{"text":"(UMI)AAI8026487","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/77035","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:creator","label":"Author","values":["Eccles, Joseph"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-05-13T15:17:45Z","10000-01-01","1980"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Chemistry, Physical"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/77035","(UMI)AAI8026487"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["A formalism for reactive scattering in three dimensions is developed. It is shown to be equivalent to the coupled T and K operator methods of Kouri, Craigie and Secrest. The relationship between the two methods shows that the coupled operator methods as previously presented are computationally not useful. The present method, the coupled arrangement wavefunction (CAW) method, is developed and specialized for e('-) + H scattering. Computational results are presented for this system with an internal basis set of up to three functions. These results find a Feshbach resonance below the first excitation threshold, in agreement with experiments and previous calculations.","Made available in DSpace on 2015-05-13T15:17:45Z (GMT). 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The relationship between the two methods shows that the coupled operator methods as previously presented are computationally not useful. The present method, the coupled arrangement wavefunction (CAW) method, is developed and specialized for e('-) + H scattering. Computational results are presented for this system with an internal basis set of up to three functions. These results find a Feshbach resonance below the first excitation threshold, in agreement with experiments and previous calculations.","Made available in DSpace on 2015-05-13T15:17:45Z (GMT). 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