Browse Dissertations and Theses - Chemistry by Contributor "Wagner, Lucas"

  • Allen, Thomas Carlton (2016-07-13)
    Understanding reactivity is a central goal of chemical physics, and investigations in the condensed phase are particularly important for many applications, including biochemical cycles and materials science. However, ...

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  • Faucheaux, Jacob A. (2017-11-28)
    Anharmonic vibrational many-body methods are developed for and applied to small molecules and extended systems in a bound potential energy surface (PES). Diagrammatically size-consistent and basis-set-free vibrational ...

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  • Johnson, Cole M. (2018-04-17)
    Solving the non-relativistic time-independent electronic Schrödinger equation is in general difficult and requires approximation. For experimental accuracy, wave-function based methods require a large set of basis functions ...

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  • Bose, Amartya (2018-07-10)
    Exact quantum dynamical simulation of processes in highly coupled condensed phase reactions is extremely challenging. The work reported in this dissertation builds on top of two different approaches. First, we present ...

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