caa a22 4500 605487200 CHVBK 20210128100449.0 cr unu---uuuuu 210128e20150101xx s 000 0 eng 10.1007/s00214-014-1598-y doi (NATIONALLICENCE)springer-10.1007/s00214-014-1598-y Confined two-electron systems: excited singlet and triplet S states [Elektronische Daten] [H. Montgomery Jr., Vladimir Pupyshev] Energies are reported for the first four singlet and triplet spherically symmetric states of 2e systems confined in an impenetrable sphere. All calculations used explicitly correlated Hylleraas basis sets. These calculations identify a series of level crossings and avoided crossings for Coulombic systems with a positive charge at the center of the sphere. Similar crossings do not occur for the 2e quantum dot. Configuration interaction calculations conducted in parallel provide a description of the system within the more traditional atomic orbital picture. The general shape of the energy versus confinement graphs and the locations of level crossings are shown to be consequences of scaling properties of the interparticle potentials. Springer-Verlag Berlin Heidelberg, 2014 Atomic properties nationallicence Electronic structure nationallicence Excited states nationallicence Variational method nationallicence Confined atom nationallicence Quantum dot nationallicence Montgomery Jr. H. Chemistry Program, Centre College, 40422, Danville, KY, USA aut Pupyshev Vladimir Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Lomonosov Moscow State University, 119991, Moscow, Russia aut Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/1(2015-01-01), 1-7 1432-881X 134:1<1 2015 134 214 https://doi.org/10.1007/s00214-014-1598-y text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00214-014-1598-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Montgomery Jr H. Chemistry Program, Centre College, 40422, Danville, KY, USA aut NATIONALLICENCE 700 1- Pupyshev Vladimir Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Lomonosov Moscow State University, 119991, Moscow, Russia aut NATIONALLICENCE 773 0- Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/1(2015-01-01), 1-7 1432-881X 134:1<1 2015 134 214