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Quantum Theory of Atomic and Molecular Structures and Interactions

Makrides, Constantinos
http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404484126

Abstract Details

2014, Doctor of Philosophy, University of Toledo, College of Natural Sciences and Mathematics.
This dissertation consists of topics in two related areas of research that together provide quantum mechanical descriptions of atomic and molecular interactions and reactions. The first is the ab initio electronic structure calculation that provides the atomic and molecular interaction potential, including the long-range potential. The second is the quantum theory of interactions that uses such potentials to understand scattering, long-range molecules, and reactions. In ab initio electronic structure calculations, we present results of dynamic polarizabilities for a variety of atoms and molecules, and the long-range dispersion coefficients for a number of atom-atom and atom-molecule cases. We also present results of a potential energy surface for the triatomic lithium-ytterbium-lithium system, aimed at understanding the related chemical reactions. In the quantum theory of interactions, we present a multichannel quantum-defect theory (MQDT) for atomic interactions in a magnetic field. This subject, which is complex especially for atoms with hyperfine structure, is essential for the understanding and the realization of control and tuning of atomic interactions by a magnetic field: a key feature that has popularized cold atom physics in its investigations of few-body and many-body quantum systems. Through the example of LiK, we show how MQDT provides a systematic and an efficient understanding of atomic interaction in a magnetic field, especially magnetic Feshbach resonances in nonzero partial waves.
Bo Gao (Committee Chair)
Svetlana Kotochigova (Committee Member)
Lawrence Anderson (Committee Member)
Steven Federman (Committee Member)
Thomas Kvale (Committee Member)
100 p.
Physics
Feshbach Resonances; Electronic Structure Calculations; Atomic Interaction;

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Citations

  • Makrides, C. (2014). Quantum Theory of Atomic and Molecular Structures and Interactions [Doctoral dissertation, University of Toledo]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404484126

    APA Style (7th edition)

  • Makrides, Constantinos. Quantum Theory of Atomic and Molecular Structures and Interactions. 2014. University of Toledo, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404484126.

    MLA Style (8th edition)

  • Makrides, Constantinos. "Quantum Theory of Atomic and Molecular Structures and Interactions." Doctoral dissertation, University of Toledo, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404484126

    Chicago Manual of Style (17th edition)

toledo1404484126
2,070
© 2014, all rights reserved.
This open access ETD is published by University of Toledo and OhioLINK.