On the breakdown of the Dirac kinetic energy operator for estimating normal mass shifts

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On the breakdown of the Dirac kinetic energy operator for estimating normal mass shifts

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dc.contributor.author Li, Jiguang sv
dc.contributor.author Naze, Cedric sv
dc.contributor.author Godefroid, Michel sv
dc.contributor.author Gaigalas, Gediminas sv
dc.contributor.author Jönsson, Per en_US
dc.date.accessioned 2012-12-18T07:48:26Z
dc.date.available 2012-12-18T07:48:26Z
dc.date.issued 2012 en_US
dc.identifier.issn 1434-6060 en_US
dc.identifier.uri http://hdl.handle.net/2043/14613
dc.description.abstract The Dirac kinetic energy (DKE) form of the normal mass shift operator (me/M ∑i=1N Ti), which is an approximation of the (1/2M ∑i=1N pi2) operator built on the relativistic electron momenta, is widely used in relativistic atomic structure calculations. In the present paper, we illustrate the progressive breakdown of the Dirac kinetic energy form relatively to the momentum form when increasing the nuclear charge along the lithium isoelectronic sequence. Both forms are incorrect in the relativistic case but the DKE operator provides expectation values that are closer to the results obtained with the more complete relativistic recoil operator. en_US
dc.format.extent 8
dc.language.iso eng en_US
dc.publisher EDP Sciences en_US
dc.subject.classification Sciences en_US
dc.title On the breakdown of the Dirac kinetic energy operator for estimating normal mass shifts en_US
dc.type Article, peer reviewed scientific en_US
dc.contributor.department Malmö University. School of Technology en
dc.identifier.doi 10.1140/epjd/e2012-30328-5 en_US
dc.subject.srsc Research Subject Categories::NATURAL SCIENCES en_US
dc.relation.ispartofpublication European Physical Journal D;
dc.relation.ispartofpublicationvolume 66 en_US
dc.format.ePage 297
dc.format.sPage 290
mahlocal.rights.oaType green
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