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Calculation of Araki-Sucher correction for many-electron systems

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dc.abstract.enWe consider the evaluation of the Araki-Sucher correction for arbitrary many-electron atomic and molecular systems. This contribution appears in the leading-order quantum electrodynamics corrections to the energy of a bound state. The conventional one-electron basis set of Gaussian-type orbitals is adopted; this leads to two-electron matrix elements which are evaluated with the help of the generalized McMurchie-Davidson scheme. We also consider the convergence of the results towards the complete basis set. A rigorous analytic result for the convergence rate is obtained and verified by comparing with independent numerical values for the helium atom. Finally, we present a selection of numerical examples and compare our results with the available reference data for small systems. In contrast with other methods used for the evaluation of the Araki-Sucher correction, our method is not restricted to few-electron atoms or molecules. This is illustrated by calculations for several many-electron atoms and molecules.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorLesiuk, Michał
dc.contributor.authorMoszyński, Robert
dc.contributor.authorBalcerzak, Justyna G.
dc.date.accessioned2024-01-24T18:57:53Z
dc.date.available2024-01-24T18:57:53Z
dc.date.issued2017
dc.description.financeNie dotyczy
dc.description.number5
dc.description.volume96
dc.identifier.doi10.1103/PHYSREVA.96.052510
dc.identifier.issn2469-9926
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/102645
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofPhysical Review A
dc.relation.pagesart.no. 052510
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleCalculation of Araki-Sucher correction for many-electron systems
dc.typeJournalArticle
dspace.entity.typePublication