Fully optimized contracted Gaussian basis sets for atoms Li to Kr
- 15 August 1992
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 97 (4) , 2571-2577
- https://doi.org/10.1063/1.463096
Abstract
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.Keywords
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