Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Ansgar Schäfer; Hans W. Horn; Reinhart Ahlrichs · The Journal of Chemical Physics · 1992

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Author / responsible party

Ansgar Schäfer; Hans W. Horn; Reinhart Ahlrichs

Publisher

The Journal of Chemical Physics

Year

1992

Language

English

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Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self-consistent field ground state energies with respect to all basis set parameters, i.e., orbital exponents and contraction coefficients.

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APA 7

Schäfer, A, Horn, H. W, & Ahlrichs, R. (1992). Fully optimized contracted Gaussian basis sets for atoms Li to Kr. https://doi.org/10.1063/1.463096

MLA

Schäfer, Ansgar, et al. "Fully optimized contracted Gaussian basis sets for atoms Li to Kr." 1992. https://doi.org/10.1063/1.463096.

Chicago

Schäfer, Ansgar, Hans W. Horn, and Reinhart Ahlrichs. 1992. "Fully optimized contracted Gaussian basis sets for atoms Li to Kr.". https://doi.org/10.1063/1.463096.

Harvard

Schäfer, A, Horn, H. W. and Ahlrichs, R. 1992, Fully optimized contracted Gaussian basis sets for atoms Li to Kr, The Journal of Chemical Physics, available at: https://doi.org/10.1063/1.463096 [Accessed 10 Aug. 2026].

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Title: Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Author / contributors: Ansgar Schäfer; Hans W. Horn; Reinhart Ahlrichs

Publisher: The Journal of Chemical Physics

Publication year: 1992

Language: English

Subjects

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STO-nG basis sets; Basis (linear algebra); Gaussian; Basis set; Ground state; Atomic physics; State (computer science); Physics; Mathematics; Statistical physics; Quantum mechanics; Geometry