Automatic Generation of Density-Fitting Auxiliary Basis Sets for All-Electron Dirac–Kohn–Sham Calculations

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Authors: Nicoló Antonini, Enrico Ronca, Loriano Storchi, Leonardo Belpassi

Journal title: The Journal of Physical Chemistry A

Journal publisher: American Chemical Society (ACS)

Published year: 2025

DOI identifier: 10.5281/ZENODO.15992606

ISSN: 1089-5639