Calculation of vertical ionization potentials of ketene by perturbation corrections to Koopmans' theorem |
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| Authors: | D P Chong |
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| Institution: | (1) Department of Chemistry, University of British Columbia, 2075 Wesbrook Place, V6T 1W5 Vancouver, British Columbia, Canada |
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| Abstract: | The vertical ionization potentials of ketene are calculated by perturbation corrections to Koopmans' theorem. The present results are compared with those from the pseudonatural orbital coupled electron pair approach and the experimental values. |
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| Keywords: | Ketene vertical ionization potentials of  " target="_blank">gif" alt="sim" align="MIDDLE" BORDER="0"> |
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