IONIZATION POTENTIAL OF HYDROGEN $FLUORIDE^{*}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/7916

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 Title: IONIZATION POTENTIAL OF HYDROGEN $FLUORIDE^{*}$ Creators: Schaad, L. J. Issue Date: 1960 Publisher: Ohio State University Abstract: “Using a single Slater determinant and neglecting differential overlap, wave functions for HF and $HF^{+}$ have been obtained by minimizing energy with respect to two linear coefficients and three orbital exponents. The $\pi$ ionization potential of HF computed using Koopmans’ theorem is 8.8 e.v. higher than that. obtained as the difference between best HF and best $HF^{+}$ energies. This latter ionization potential of 14.0 e.v. may be compared with experimental values of 12.6-15.8 e.v.” Description: $^{*}$Work begun at the Mathematical Institute, Oxford, with support from the National Institutes of Health, and continued at Bloomington with support from the National Science Foundation. Author Institution: Chemistry Department, Indiana University URI: http://hdl.handle.net/1811/7916 Other Identifiers: 1960-B-10