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The rapidly growing interest in simulating condensed-phase materials usingquantum chemistry methods calls for a library of high-quality Gaussian basissets suitable for periodic calculations. Unfortunately, most standard Gaussianbasis sets commonly used in molecular simulation show significant lineardependencies when used in close-packed solids, leading to severe numericalissues that hamper the convergence to the complete basis set (CBS) limit,especially in correlated calculations. In this work, we revisit Dunning'sstrategy for construction of correlation-consistent basis sets and examine therelationship between accuracy and numerical stability in periodic settings.Specifically, we find that limiting the number of primitive functions avoidsthe appearance of problematic small exponents while still providing smoothconvergence to the CBS limit. As an example, we generate double-, triple-, andquadruple-zeta correlation-consistent Gaussian basis sets for periodiccalculations with Goedecker-Teter-Hutter (GTH) pseudopotentials. Our basis setscover the main-group elements from the first three rows of the periodic table.Especially for atoms on the left side of the periodic table, our basis sets areless diffuse than those used in molecular calculations. We verify the fast andreliable convergence to the CBS limit in both Hartree-Fock andpost-Hartree-Fock (MP2) calculations, using a diverse test set of $19$semiconductors and insulators.

Correlation-consistent Gaussian basis sets for solids made simple