dc.creator Mayrhofer, Rudolph C. en_US dc.creator Sibert, Edwin L., III en_US dc.date.accessioned 2006-06-15T15:06:48Z dc.date.available 2006-06-15T15:06:48Z dc.date.issued 1991 en_US dc.identifier 1991-TC-8 en_US dc.identifier.uri http://hdl.handle.net/1811/12520 dc.description Author Institution: Department of Chemistry and Theoretical Chemistry Institute, University of Winconain - Madison en_US dc.description.abstract Colbert 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.extent 58292 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title Investigating the Separability of Vibrational Motions en_US dc.type article en_US
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