화학공학소재연구정보센터
Chemical Physics Letters, Vol.702, 106-110, 2018
Singlet vs. triplet interelectronic repulsion in confined atoms
Hund's multiplicity rule invariably holds for the ground configurations of few-electron atoms as well as those of multi-electron quantum dots. However, the ordering of the corresponding interelectronic repulsions exhibits a reversal in the former but not in the latter system, upon varying the system parameters. Here, we investigate the transition between these two types of behaviour by studying few-electron atoms confined in spherical cavities. "Counter-intuitive" ordering of the interelectronic repulsions is confirmed when the nuclear charge is low enough and the cavity radius is large enough. (C) 2018 Elsevier B.V. All rights reserved.