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20092022
most citedCorrelation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high Tc superconductors

145 citations · 1.1k across the 25 of their papers we have counts for

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Showing 2020Show all

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cond-mat.mtrl-sci2020★ 5 cited

Atomic forces from Dirac-Kohn-Sham equations: Implementation in flexible (APW+lo/LAPW)+LO basis set

Andrey L. Kutepov

Atomic forces formulation based on the Dirac-Kohn-Sham equation and flexible (APW+lo/LAPW)+LO basis set is presented. The formulation was implemented in the code FlapwMBPT and allo…

cond-mat.mtrl-sci2020★ 28 cited

Elimination of the linearization error in APW/LAPW basis set: Dirac-Kohn-Sham equations

Andrey L. Kutepov

A detailed account of the implementation of equations of the Relativistic Density Functional Theory (RDFT) using basis sets of APW/LAPW type with flexible extensions provided by lo…