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    Computational study of rovibrational spectra of Van der Waals dimers and their isotopologues 

    Brown, James (2012-08-29)
    A new intermolecular potential energy surface, rovibrational transition frequencies, and line strengths are computed for OCS-OCS and CO2-CS2. The potentials were made by fitting energies obtained from explicitly correlated ...
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    Using phase-space localized basis functions to obtain vibrational energies of molecules 

    Brown, James (2016-09-20)
    For decades scientists have attempted to use ideas of classical mechanics to choose basis functions for calculating spectra. The hope is that a classically-motivated basis set will be small because it covers only the ...

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    Brown, James (2)
    SubjectComputer Simulations (1)Eigenvalues (1)Intermolecular Forces (1)Matrix equations (1)Phase space (1)Potential Energy Surface (1)Rotational-Vibrational States (1)Schroedinger Equation (1)Wave Functions (1)Wave functions (1)... View MoreDate Published2016 (1)2012 (1)

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