Factorization of scattering information in molecular collision theory

dc.contributor.author Chan, Chi-Keung
dc.contributor.department Chemistry
dc.date 2018-08-15T05:52:49.000
dc.date.accessioned 2020-07-02T06:02:13Z
dc.date.available 2020-07-02T06:02:13Z
dc.date.copyright Sat Jan 01 00:00:00 UTC 1983
dc.date.issued 1983
dc.description.abstract <p>In several important approximate treatments in molecular collision theory, the S- and T-matrices are local in some subset of coordinates. Linear factorization relations and consistency conditions are derived for the matrix elements of such local operator and sometimes for the appropriately averaged square of the magnitude of these matrix elements. The coefficients in these relations and conditions are "spectroscopic" (i.e., dynamics independent). Using these relations, one can predict scattering information (S/T-matrices and degeneracy averaged cross sections) for any transition using corresponding information for transitions out of (or into) a fixed, but arbitrary, input state. The relevancy of these relations to various forms of the sudden approximation is explored;Factorization in the sudden approximation of atom-diatom phenomeno-logical cross sections, which are important in transport coefficient calculations, is also examined;Finally, the energy sudden (ES) factorization relations for the T- matrix elements in a dissociative collision are studied. The theory is applied to collinear collisions between an atom and a truncated square well, diatomic oscillator. Under certain conditions, vibrational enhancement/inhibition as a function of the final dissociative state;can be predicted without any dynamic calculation of the transition probabilities. Some results of calculations are discussed; *DOE Report IS-T-1066. This work was performed under Contract No. W-7405-Eng-82 with the U.S. Department of Energy.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/rtd/7701/
dc.identifier.articleid 8700
dc.identifier.contextkey 6323581
dc.identifier.doi https://doi.org/10.31274/rtd-180813-6292
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath rtd/7701
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/80608
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/rtd/7701/r_8323270.pdf|||Sat Jan 15 01:52:55 UTC 2022
dc.subject.disciplines Physical Chemistry
dc.subject.keywords Chemistry
dc.subject.keywords Physical chemistry
dc.title Factorization of scattering information in molecular collision theory
dc.type article
dc.type.genre dissertation
dspace.entity.type Publication
relation.isOrgUnitOfPublication 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11
thesis.degree.level dissertation
thesis.degree.name Doctor of Philosophy
Original bundle
Now showing 1 - 1 of 1
3.46 MB
Adobe Portable Document Format