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Audrius Alkauskas

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Audrius Alkauskas

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Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

Defect levels of carbon-related defects at the SiC/SiO2 interface from hybrid functionals

Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2 interface through hybrid functionals

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

Defect levels through hybrid density functionals: Insights and applications

Capturing EELS in the reciprocal space

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

Theoretical analysis of the momentum-dependent loss function of bulk Ag

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si-SiO2-HfO2 stack