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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
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.”
URI: http://hdl.handle.net/1811/7916
Other Identifiers: 1960-B-10
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