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Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations

โœ Scribed by Fabiano, E.; Della Sala, F.


Book ID
120750180
Publisher
Springer
Year
2012
Tongue
English
Weight
365 KB
Volume
131
Category
Article
ISSN
1432-2234

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Gaussian basis set of double zeta qualit
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## Abstract Contracted basis sets of double zeta (DZ) quality for the atoms from K to Kr are presented. They were determined from fully optimized basis sets of primitive Gaussianโ€type functions generated in atomic Hartreeโ€Fock calculations. Sets of Gaussian polarization functions optimized at the M