Fully optimized contracted Gaussian basis sets for atoms Li to Kr
- 15 August 1992
- journal article
- research article
- 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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