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Core effects on ionization potentials in thallium

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dc.contributor.author Merlitz, H
dc.contributor.author Gopakumar, G
dc.contributor.author Chaudhuri, R. K
dc.contributor.author Das, B. P
dc.contributor.author Mahapatra, U. S
dc.contributor.author Mukherjee, D
dc.date.accessioned 2008-08-12T09:17:48Z
dc.date.available 2008-08-12T09:17:48Z
dc.date.issued 2001-02
dc.identifier.citation Physical Review A, Vol. 63, No. 2, pp. 022507 en
dc.identifier.issn 1050-2947
dc.identifier.uri http://hdl.handle.net/2248/3085
dc.description.abstract Ionization potentials (IP's) are evaluated for various excited states of Tl using the relativistic coupled cluster (CCCD) theory in the even-parity pair channel approximation (CCSD-EPC). An average accuracy below half a percent is reached. The effect of deep core electrons on the core-valence correlations is investigated. It is found that electrons in the third subshell (n=3) modify the IP's of the 6p orbitals by 100 cm-1. By comparison with calculations made in the linearized CCSD (LCCSD) approximation it is demonstrated that nonlinear contributions are mandatory to reach an accuracy below half a percent for the 6p1/2 orbital. en
dc.format.extent 45639 bytes
dc.format.mimetype application/pdf
dc.language.iso en en
dc.publisher The American Physical Society en
dc.relation.uri http://link.aps.org/abstract/PRA/v63/e022507 en
dc.subject Ionization Potentials en
dc.subject Relativistic Coupled Cluster en
dc.title Core effects on ionization potentials in thallium en
dc.type Article en

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