Wydział Fizyki, Astronomii i Informatyki Stosowanej / Faculty of Physics, Astronomy and Informatics Przeglądanie wg słów kluczowych "Kohn-Sham Density Functional Theory"

Wyświetlono pozycje 1-1 z 1

Physically meaningful solutions of optimized effective potential equations in a finite basis set within KS-DFT framework

Singh, Aditi; Kumar, Vignesh Balaji; Grabowski, Ireneusz; Śmiga, Szymon (Elsevier, 2023)

The numerical evidence is provided showing that the physical solutions, in a finite basis set, of the optimized effective potential equations (OEP) in the context of the Kohn-Sham Density Functional Theory (KS-DFT) can ...