On the Friedel sum rule in ab initio calculations of optical properties
classification
⚛️ physics.comp-ph
keywords
rulecalculationsconductivitydynamicelectricalexplanationformulafriedel
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We investigate the influence of technical parameters in dynamic electrical conductivity calculations by the Kubo-Greenwood formula on the value of the so-called sum rule. We propose a possible explanation of the slight overestimation of the sum rule in most of our results.
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