Theoretical studies of surfaces, clusters, and the many-body problem using semiempirical models

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dc.contributor.advisorAllen, Roland E.
dc.contributor.committeeMemberHall, Michael B.
dc.contributor.committeeMemberSaslow, Wayne M.
dc.contributor.committeeMemberSmith, Roger A.
dc.creatorStreszewski, Marcin
dc.date.accessioned2020-09-02T21:11:25Z
dc.date.available2020-09-02T21:11:25Z
dc.date.issued1988
dc.descriptionTypescript (photocopy).en
dc.description.abstractHydrogen chemisorption, the magnetism of small metal clusters, and the many-body problem were studied with the use of the Hubbard Hamiltonian. The chemisorption of hydrogen on transition metals was studied within the unrestricted Hartree-Fock approximation. The results show that the chemisorption energy depends weakly on the initial magnetization of the substrate and adsorbate, in agreement with recent experimental work done by Ertl's group. The magnetism of small metallic clusters was studied using the exact diagonalization procedure. The calculations, done for 5-site clusters, show a new interesting phenomenon involving spin frustration. The results indicate other many-body effects like the resonating valence bond state and singlet and triplet pairing. The many-body calculations were performed using various decoupling procedures, Gutzwiller variational schemes, and the connected-moment expansion. The performance of these techniques was tested and compared to exact results for small Hubbard clusters.en
dc.format.digitalOriginreformatted digitalen
dc.format.extentxii, 141 leavesen
dc.format.mediumelectronicen
dc.format.mimetypeapplication/pdf
dc.identifier.oclc19999103
dc.identifier.urihttps://hdl.handle.net/1969.1/DISSERTATIONS-783039
dc.language.isoeng
dc.publisher.digitalTexas A&M University. Libraries
dc.rightsThis thesis was part of a retrospective digitization project authorized by the Texas A&M University Libraries. Copyright remains vested with the author(s). It is the user's responsibility to secure permission from the copyright holder(s) for re-use of the work beyond the provision of Fair Use.en
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subjectMajor physicsen
dc.subject.classification1988 Dissertation S915
dc.subject.lcshSurfaces (Physics)en
dc.subject.lcshMany-body problemen
dc.subject.lcshTransition metalsen
dc.subject.lcshAbsorption and adsorptionen
dc.subject.lcshCluster theory (Nuclear physics)en
dc.titleTheoretical studies of surfaces, clusters, and the many-body problem using semiempirical modelsen
dc.typeThesisen
dc.type.genredissertationsen
dc.type.materialtexten
thesis.degree.grantorTexas A&M Universityen
thesis.degree.nameDoctor of Philosophyen
thesis.degree.namePh. Den

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