Please use this identifier to cite or link to this item: http://hdl.handle.net/2248/3093
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dc.contributor.authorChaudhuri, R. K-
dc.contributor.authorPanda, P. K-
dc.contributor.authorMerlitz, H-
dc.contributor.authorDas, B. P-
dc.contributor.authorMahapatra, U. S-
dc.contributor.authorMukherjee, D-
dc.date.accessioned2008-08-12T09:30:34Z-
dc.date.available2008-08-12T09:30:34Z-
dc.date.issued2000-11-
dc.identifier.citationJournal of Physics B: Atomic, Molecular, and Optical Physics, Vol. 33, No. 22, pp. 5129 - 5138en
dc.identifier.issn0953-4075-
dc.identifier.urihttp://hdl.handle.net/2248/3093-
dc.descriptionRestricted Access-
dc.description.abstractWe first test our recently developed relativistic coupled-cluster-based linear response theory (RCCLRT) by computing the principal and the shake-up ionization potentials (IP) of highly stripped atoms. Comparison is made between the IP values obtained from the relativistic and non-relativistic CCLRT calculations. The comparisons for light atoms, where the relativistic contributions are negligible, provide a test of the method, while comparisons for heavy atoms quantify the relativistic effect. For one-valence problems such as ionization processes, there is a formal equivalence between the principal IP values from the CCLRT and multi-reference coupled cluster (MRCC) theory when using the 1h-0p model space. The principal IPs obtained from the CCLRT are size-extensive, but the (2h-1p) shake-up IPs are not fully size-extensive, where the size-inextensivity error scales as the number of valence excitations. The computed valence and shake-up ionization energies via the RCCLRT approach are in excellent agreement with experimental data. The IPs computed using the non-relativistic CCLRT also match favourably well with the experiment only when the atomic number and ionic charge are small.en
dc.format.extent3894 bytes-
dc.format.mimetypeapplication/pdf-
dc.language.isoenen
dc.publisherInstitute of Physicsen
dc.relation.urihttp://www.iop.org/EJ/abstract/0953-4075/33/22/314/en
dc.subjectRelativisticen
dc.subjectCCLRTen
dc.subjectRCCLRTen
dc.subjectIonization Potentialsen
dc.subjectMulti-Reference Coupled Clusteren
dc.titleIonization potentials of beryllium-like ions from the relativistic coupled-cluster-based linear response theoryen
dc.typeArticleen
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