HIGH ORDER CORRECTIONS TO ROTATIONAL CONSTANTS BY VIBRATION-ROTATION PERTURBATION THEORY

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2008

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Ohio State University

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Vibrational corrections to rotational constants due to second vibration-rotation interaction constants, i.e. $\gamma^{\alpha}_{ij}$, are presented under the framework of fourth order Rayleigh-Schodinger perturbation theory. Applications to some asymmetric top molecules are analyzed and compared with corrections resulting from the first vibration-rotation constants, $\alpha^{\alpha}_{i}$.

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Author Institution: Institute for Theoretical Chemistry, Department of Chemistry, University of Texas, Austin,Tx 78721

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http://hdl.handle.net/1811/33525

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Abstracts of OSU International Symposium on Molecular Spectroscopy 2000-2009