How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds

von Pascale, Fabien
Veröffentlicht in: Journal of computational chemistry (2023)

Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra

von Platonenko, Alexander
Veröffentlicht in: Journal of computational chemistry (2021)