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Titel:

Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Delesma, Francisco A.; Leucke, Moritz; Golze, Dorothea; Rinke, Patrick
Abstract:
Four-center two-electron Coulomb integrals routinely appear in electronic structure algorithms. The resolution-of-the-identity (RI) is a popular technique to reduce the computational cost for the numerical evaluation of these integrals in localized basis-sets codes. Recently, Duchemin and Blase proposed a separable RI scheme [J. Chem. Phys. 150, 174120 (2019)], which preserves the accuracy of the standard global RI method with the Coulomb metric and permits the formulation of cubic-scaling rando...     »
Zeitschriftentitel:
The Journal of Chemical Physics 2024-01
Jahr:
2024
Band / Volume:
160
Heft / Issue:
2
Volltext / DOI:
doi:10.1063/5.0184406
Verlag / Institution:
AIP Publishing
E-ISSN:
0021-96061089-7690
Publikationsdatum:
11.01.2024
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