Optimal Diabatic Bases Via Thermodynamic Bounds

Describing kinetic processes within a perturbation theory approach such as Fermi's golden rule requires an understanding of the initial and final states of the system. A number of different methods have been proposed for obtaining these diabatic-like states, but a robust criterion for evaluatin...

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Bibliographic Details
Main Authors: Yeganeh, Sina (Contributor), Van Voorhis, Troy (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Institute of Physics, 2012-10-18T20:22:07Z.
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