Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides
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DOI: 10.3389/fmats.2018.00078
Abstract: The inclusion of dispersion (van der Waals, vdW) forces in first-principles modelling of disordered chalcogenides is analyzed and critically discussed in view of their impact on the atomic structure. To this purpose we considered the… read more here.
Keywords: forces first; sensitivity dispersion; dispersion forces; disordered chalcogenides ... See more keywords