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posted on 2025-02-25, 13:06 authored by Jan-Robert Vogt, Jan Wilhelm, Huayna Terraschke, Norbert Stock, Anna-Sophia Hehn
Supplementary Information: Perturbative spin-orbit splittings for the simulation of extended framework materials

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    Journal of Chemical Physics

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    Spin-orbit couplingTime-dependent density functional theoryMetal-organic frameworksPeriodic boundary conditionsGaussian and plane waves

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    CC BY 4.0

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