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An optimum minimal basis of exponential atomic orbitals

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Abstract

An analysis of some of the energetic properties of the conventional minimal STO basis is used to suggest a new optimum set of exponential functions for use in molecular calculations.

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References

  1. Slater, J. C.: Phys. Rev.36, 57 (1930)

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Authors and Affiliations

  1. Department of Chemistry, The University of Sheffield, S3 7HF, Sheffield, England

    D. B. Cook

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  1. D. B. Cook
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Cook, D.B. An optimum minimal basis of exponential atomic orbitals. Theoret. Chim. Acta 46, 331–336 (1977). https://doi.org/10.1007/BF00554518

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  • DOI: https://doi.org/10.1007/BF00554518

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