Showing 1 - 20 results of 41,228 for search '(( significant based basis ) OR ( significant we decrease ))', query time: 0.85s Refine Results
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    Overview of the WeARTolerance program. by Ana Beato (20489933)

    Published 2024
    “…<div><p>The stigma surrounding mental health remains a significant barrier to help-seeking and well-being in youth populations. …”
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    Basis Set Extrapolation of Vibrational Frequencies by Frank Jensen (1287894)

    Published 2023
    “…For regular molecules, the three extrapolation procedures yield essentially identical results, but for loosely bound complexes, the frequencies derived from extrapolated Hessians yield unpredictable behavior. None of the basis set extrapolations, however, provide any significant improvement over the results upon which the extrapolation is based.…”
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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. …”