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physics.comp-ph2013
On the Friedel sum rule in ab initio calculations of optical properties
D. V. Knyazev, P. R. Levashov
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 propos…
physics.comp-ph2013★ 1 cited
\textit{Ab initio} calculation of transport and optical properties of aluminum: influence of simulation parameters
D. V. Knyazev, P. R. Levashov
This work is devoted to the \textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, d…