Showing 1,481 - 1,500 results of 6,160 for search '(( ((algorithm python) OR (algorithm b)) function ) OR ( algorithm within function ))*', query time: 0.36s Refine Results
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    Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach by Diptarka Hait (2835971)

    Published 2020
    “…ROKS/SGM with the modern SCAN/ωB97X-V functionals is found to predict the K-edge of C, N, O, and F to a root mean squared error of ∼0.3 eV. …”
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    Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach by Diptarka Hait (2835971)

    Published 2020
    “…ROKS/SGM with the modern SCAN/ωB97X-V functionals is found to predict the K-edge of C, N, O, and F to a root mean squared error of ∼0.3 eV. …”
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    STD and STD/mean as a function of <i>N</i><sub><i>p</i></sub> for distribution of points with added noise. by Luca Maria Del Bono (20479625)

    Published 2024
    “…<p>STD (a) and STD/mean (b) as a function of <i>N</i><sub><i>p</i></sub> for distribution of points with added noise, before and after GD. …”
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