MANY-BODY CALCULATIONS FOR THE PHOTO DETACHMENT ENERGY AND STRUCTURE OF $C_{2}H^{-}$

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1979

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Ohio State University

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The photo detachment energy and structure of C2H− are determined theoretically. Basis sets of up to 54 contracted gaussians are employed in the UHF and many-body calculations. A comparison between UHF and correlated results is made. For example, the calculated UHF photo detachment energy is nearly 1,6 eV, while the fourth order single, double, and quadruple many-body perturbation theory detachment energy is 3.3 eV.

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http://hdl.handle.net/1811/10935

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979