Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets
Author:
Affiliation:
1. Molecular Sciences Software Institute, Blacksburg, Virginia 24061, United States
2. Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 Helsinki, Finland
Funder
Academy of Finland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00670
Reference39 articles.
1. Coulombic potential energy integrals and approximations
2. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
3. On the applicability of LCAO-Xα methods to molecules containing transition metal atoms: The nickel atom and nickel hydride
4. On some approximations in applications ofXα theory
5. Variational fitting methods for electronic structure calculations
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