Finite nucleus effects, relativistic effects and picture change error in the IOTC/DKH2 contact spin densities of Cu, Ag, Au atoms

Pubblicato online: 20 dic 2014

Pagine: 65 - 72

DOI: https://doi.org/10.2478/acs-2014-0012

Parole chiave

contact spin density, nucleus model, PCE correction, picture change error

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.