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THE ROTATIONAL RKR METHOD

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Title: THE ROTATIONAL RKR METHOD
Creators: Nesbitt, David J.; Child, Mark S.
Issue Date: 1988
Publisher: Ohio State University
Abstract: In the rapidly growing field of high resolution infrared spectroscopy of van der Waals complexes, one often obtains a wealth of rotational information for a single vibrational state. A new RKR based Method is described for extracting one dimensional potentials via inversion of high precision data on rotational energy levels alone. This method proves remarkably successful at quantitatively reproducing intermolecular potentials from rotational data for I) weakly bound (e.g. model van der Waals complexes) and ii) strongly bound (e.g. $v-O$ rotational levels of $H_{2} X^{1}\Sigma_{g})$ molecules.
Description: $^{1}$ M. S. Child and D. J. Nesbitt, Chem. Phys. Lett. (in press).
Author Institution: Joint Institute for Laboratory Astrophysics, National Bureau of Standards and University of Colorado at Boulder
URI: http://hdl.handle.net/1811/36649
Other Identifiers: 1988-TI-10
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