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dc.creatorMayrhofer, Rudolph C.en_US
dc.creatorSibert, Edwin L., IIIen_US
dc.descriptionAuthor Institution: Department of Chemistry and Theoretical Chemistry Institute, University of Winconain - Madisonen_US
dc.description.abstractColbert and Sibert have investigated a class of coordinates, called the Variable Curvature Coordinates (VCC), in which the curvature of the coordinates for various model problems was varied to find the most separable representation $possible.^{1}$ This work is now extended to $SO_{2}$ and $H_{2}O$. Using Distributed Gaussian Bassis sets, vibrational SCF and adiabatic eigenvalues are calculated as a function of the VCC in order examine the separability of the vibrational wavefunctions. The natural modals of the variational wavefunction are also constructed and provide an alternative means of describing the separability of the $coordinates.^{1}$D. T. Colbert and E. L. Sibert III, J. Chem. Phy 91, 350 (1989)en_US
dc.format.extent58292 bytes
dc.publisherOhio State Universityen_US
dc.titleInvestigating the Separability of Vibrational Motionsen_US

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