Real space grids for def2-TZVP/def2-TZVP-RI basis sets resolution of the identity

DOI10.5281/zenodo.10277631Zenodo10277631MaRDI QIDQ6709481

Dataset published at Zenodo repository.

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Publication date: 6 December 2023

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Description

Real space grids (in Bohr) for def2-TZVP/def2-TZVP-RI basis sets resolution of the identity, as per described in the following works:1) "Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA", J. Chem. Phys. 150, 174120 (2019); https://doi.org/10.1063/1.5090605.2) "Cubic-scaling all-electron GW calculations with a separable density-fitting space-time approach", J. Chem. Theory Comput. 2021, 17, 2383−2393; https://doi.org/10.1021/acs.jctc.1c00101.

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