Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
Author:
Affiliation:
1. Max Planck Institut für Chemische Energiekonversion, Stifstr. 34-36, 45470 Mülheim an der Ruhr, Germany
2. Facultad de Química y Biología, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago, Chile
Funder
Comisión Nacional de Investigación Científica y Tecnológica
Max-Planck-Gesellschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01048
Reference63 articles.
1. All-electron basis sets for heavy elements
2. Atomic orbital basis sets
3. Peterson, K. A.; Dyall, K. G.InComputational Methods in Lanthanide and Actinide Chemistry;Dolg, M., Ed.John Wiley & Sons, Ltd., 2015; pp195–216.
4. Weigend, F.InComputational Methods in Lanthanide and Actinide Chemistry;Dolg, M., Ed.John Wiley & Sons, Ltd., 2015; pp181–194.
5. Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides
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