Browsing Physics, Engineering Physics and Astronomy, Department of by Author "Brown, James"

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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 ...
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 ...