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    Redundant Coordinates in Quantum Mechanics

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    Date
    2018
    Author
    Toombs, Eric
    Carrington, Tucker Jr
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    Abstract
    We present a kinetic energy operator and inner product that can be used to solve the Schroedinger equation in redundant coordinates. The goal is to develop equations and a computational procedure that can be used with N coordinates for a system with M degrees of freedom, where N > M. In chemical physics, this might be useful for exploiting symmetry or exploiting certain representations of potentials. Calculations demonstrate that the ideas work.
    URI for this record
    http://hdl.handle.net/1974/26245
    External DOI
    10.1016/j.chemphys.2018.07.047
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    • Department of Chemistry Faculty Publications
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