Accounting for Breit interaction in actinide and superheavy element compounds: 1. General remarks

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dc.creatorPetrov, A. N.
dc.creatorMosyagin, N. S.
dc.creatorTitov, A. V.
dc.creatorTupitsyn, I. I.
dc.date2003-11-06
dc.date.accessioned2026-07-07T05:50:25Z
dc.date.available2026-07-07T05:50:25Z
dc.descriptionThe incorporation of the Breit interaction in atomic and molecular calculations is discussed in the framework of four-component all-electron and two-component relativistic effective core potential (RECP)formalisms. Contributions of the Breit interaction between different core and valence shells are studied in the Dirac-Fock approximation for the uranium, plutonium, ekathallium (Z=113), ekalead (Z=114) and other heavy atoms. It is shown that the two-electron Breit effects between the valence electrons can be neglected for "chemical accuracy" (1 kcal/mol) of calculation of spectroscopic properties of systems containing superheavy elements and actinides whereas large core-core and core-valence Breit contributions can be efficiently described by one-electron RECP operators. Different versions of the generalized RECPs with the Breit interaction taken into account are constructed for uranium and plutonium and tested in comparison with the corresponding all-electron four-component calculations.
dc.description15 pages, 2 figures, REVTeX4 style, submitted to Pthys.Rev. A
dc.identifierhttps://arxiv.org/abs/physics/0311026
dc.identifierhttp://arxiv.org/abs/physics/0311026
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/85705
dc.subjectChemical Physics
dc.subjectAtomic Physics
dc.titleAccounting for Breit interaction in actinide and superheavy element compounds: 1. General remarks
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