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

Publié en ligne: 20 déc. 2014

Pages: 65 - 72

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

Mots clés

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

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

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