Treatment of anions in SINDO1 |
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| Authors: | Rüdiger Iffert Karl Jug |
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| Institution: | (1) Theoretische Chemie, Universität Hannover, Am Kleinen Felde 30, D-3000 Hannover 1, Federal Republic of Germany |
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| Abstract: | The SINDO1 method is modified to include the calculation of molecular anions. Two versions of modifications are presented which are based on charge dependent orbital exponents. Calculated heats of formation and electron affinities are much improved compared to the standard version with fixed orbital exponents.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday |
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| Keywords: | Molecular anions Charge dependent exponents |
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