Quality of correlating functions generat
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Komatsu, T.; Noro, T.; Sasaki, F.; Tatewaki, H.
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Article
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1996
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John Wiley and Sons
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English
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Tests have been performed on the quality of correlating functions generated from commonly used Gaussian basis sets, such as the 4-31G and MIDI-4 sets. The atoms tested were carbon, nitrogen, and oxygen. Self-consistent field and configuration interaction (CI) calculations were performed for the grou