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Approximate analytical orbital functions for second and third-row transition metals

โœ Scribed by Harold Basch; Harry B. Gray

Publisher
Springer
Year
1966
Tongue
English
Weight
591 KB
Volume
4
Category
Article
ISSN
1432-2234

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Basis sets ranging in size from (16, 10, 7) to (20, 14,11) have been derived for the atoms Y-Cd. Separate sets represent the energy optimized wave functions for each of the s2dn, sldntl, and sodn+' configurations. The energies from the largest sets are within 3 mhartrees of the values obtained in nu