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Remark on the moment expansion of total π-electron energy

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Summary

The truncated expansion of the function |x| was frequently used to express the total Hückel π-electron energy (E) in terms of moments. We now present an identity which connectsE with an infinite series of moments. This series is convergent. Lower and upper bounds forE are obtained, based on the same infinite moment expansion.

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Gutman, I. Remark on the moment expansion of total π-electron energy. Theoret. Chim. Acta 83, 313–318 (1992). https://doi.org/10.1007/BF01113057

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  • DOI: https://doi.org/10.1007/BF01113057

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