36 citations · 37 across the 3 of their papers we have counts for
3 papers
Electric field gradient in accurate quantum chemical calculations
Andrei Derevianko, U. C. Perera, Marek Krośnicki +3
The electric field gradients (EFGs) at the (non-spherical) nucleus contribute to atomic and molecular hyperfine structure and govern Nuclear Quadrupole Resonance (NQR) and Mössbaue…
An Embedding Cluster Approach for Accurate Electronic Structure Calculations of (229)Th:CaF2
Kamil Nalikowski, Valera Veryazov, Kjeld Beeks +2
Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals.…
Absorption spectrum of Ca atoms attached to He nanodroplets
Alberto Hernando, Manuel Barranco, Marek Krośnicki +2
Within density functional theory, we have obtained the structure of He droplets doped with neutral calcium atoms. These results have been used, in conjunction with newly determ…