Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "vibrational properties"
Now showing items 1-1 of 1
-
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(MDPI, 2024)The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron ...