Search alternatives:
significant based » significant cause (Expand Search), significant barrier (Expand Search), significant burden (Expand Search)
degs decrease » teer decrease (Expand Search), we decrease (Expand Search), deaths decreased (Expand Search)
mean decrease » a decrease (Expand Search)
basis » basic (Expand Search)
significant based » significant cause (Expand Search), significant barrier (Expand Search), significant burden (Expand Search)
degs decrease » teer decrease (Expand Search), we decrease (Expand Search), deaths decreased (Expand Search)
mean decrease » a decrease (Expand Search)
basis » basic (Expand Search)
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Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections
Published 2024“…The efficiency of the DBBSC-LNO-CCSD(T) method is demonstrated through representative examples of up to 1000 atoms. Based on the numerical results, we conclude that the corrections drastically reduce the BSI error using double-ζ basis sets, often to below 1 kcal/mol compared to the reliable LNO-CCSD(T) complete basis set references, while significant improvements are also achieved with triple-ζ basis sets. …”
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