Showing 21 - 40 results of 41,287 for search '(( significant based basis ) OR ( significant ((we decrease) OR (nn decrease)) ))', query time: 1.30s Refine Results
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    Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods by Pierre-François Loos (2370100)

    Published 2020
    “…Here, we propose a computationally efficient density-based basis-set correction based on short-range correlation density functionals which significantly speeds up the convergence of energetics toward the complete basis set limit. …”
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    Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods by Pierre-François Loos (2370100)

    Published 2020
    “…Here, we propose a computationally efficient density-based basis-set correction based on short-range correlation density functionals which significantly speeds up the convergence of energetics toward the complete basis set limit. …”
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    Significantly Enriched Pathways. by Jiyong Zhang (2498740)

    Published 2025
    “…By comparing samples from NAFLD patients and healthy controls, we identified 1,770 significant DEGs, with 1,073 being upregulated and 697 downregulated. …”
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    Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections by Dávid Mester (6983864)

    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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    Temporal profiles of the key BO-NN features. by Julia Berezutskaya (9080269)

    Published 2020
    “…The shifts associated with non-significant prediction accuracies are greyed-out. <b>(c)</b> The results of the MDS for the key BO-NN features. …”
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