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dc.contributor.advisorMatsika, Spiridoula
dc.creatorBehrendt, Drew
dc.date.accessioned2020-09-25T18:18:25Z
dc.date.available2020-09-25T18:18:25Z
dc.date.issued2020
dc.identifier.urihttp://hdl.handle.net/20.500.12613/411
dc.description.abstractWhen molecules absorb light and become excited, the energy ultimately has to go somewhere; the energy can be lost by radiation, transferred to another molecule, or lost as heat. To predict how molecules interact with light and other matter, theoretical chemists use calculations based on the Born-Oppenheimer Approximation to numerically estimate energies and other properties of interest. Most processes can be explained within the bounds of the approximation; however, the spontaneous nonadiabatic loss of energy as heat cannot. These non- adiabatic processes are driven by conical intersections and play an important role in many known phenomena. Computationally, conical intersections rise out of the breakdown of the Born- Oppenheimer Approximation and the coupling of electronic and nuclear wavefunctions. Physically, conical intersections represent the seam space of degenerate electronic states on the potential energy surface of a molecule. Metaphorically, conical intersections represent the seam space of the research frontiers in biology, chemistry, physics, mathematics, and computer science. The present work is a review of the work in, and application of, each respective field related to conical intersections and a benchmarking study of the most viable current methods used to calculate conical intersections.
dc.format.extent42 pages
dc.languageEnglish
dc.language.isoeng
dc.publisherTemple University. Libraries
dc.relation.ispartofHonors Scholar Projects
dc.rightsIN COPYRIGHT- This Rights Statement can be used for an Item that is in copyright. Using this statement implies that the organization making this Item available has determined that the Item is in copyright and either is the rights-holder, has obtained permission from the rights-holder(s) to make their Work(s) available, or makes the Item available under an exception or limitation to copyright (including Fair Use) that entitles it to make the Item available.
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subjectChemistry, Physical and theoretical
dc.subjectSpectrum analysis
dc.subjectMolecular dynamics
dc.titleConical Intersections: The Seam Space Between the Sciences
dc.typeText
dc.type.genreResearch project
dc.contributor.groupTemple University. Honors Program
dc.description.departmentChemistry
dc.relation.doihttp://dx.doi.org/10.34944/dspace/394
dc.ada.noteFor Americans with Disabilities Act (ADA) accommodation, including help with reading this content, please contact scholarshare@temple.edu
dc.description.schoolcollegeTemple University. College of Science and Technology
dc.description.degreeB.S.
dc.description.degreegrantorTemple University
dc.temple.creatorBehrendt, Drew
refterms.dateFOA2020-09-25T18:18:25Z


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