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• W2100099579 abstract "We implemented the linear explicitly correlated coupled-cluster singles and doubles with perturbative triples method, using cusp conditions along with the hybrid numerical quadrature (QD) and the resolution of the identity (RI) approach. Furthermore, we outline the connection of this method with many-body perturbation theory. Numerical results obtained with the QD/RI-based method show a faster convergence towards the basis set limit than the corresponding RI-based method. We performed benchmark calculations for a set of 13 chemical reactions." @default.
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• W2100099579 date "2009-02-01" @default.
• W2100099579 modified "2023-09-24" @default.
• W2100099579 title "Implementation of the CCSD(T)(F12) method using numerical quadratures" @default.
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• W2100099579 doi "https://doi.org/10.1016/j.cplett.2008.12.054" @default.
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