dc.contributor.author |
Merlitz, H |
|
dc.contributor.author |
Gopakumar, G |
|
dc.contributor.author |
Chaudhuri, R. K |
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dc.contributor.author |
Das, B. P |
|
dc.contributor.author |
Mahapatra, U. S |
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dc.contributor.author |
Mukherjee, D |
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dc.date.accessioned |
2008-08-12T09:17:48Z |
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dc.date.available |
2008-08-12T09:17:48Z |
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dc.date.issued |
2001-02 |
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dc.identifier.citation |
Physical Review A, Vol. 63, No. 2, pp. 022507 |
en |
dc.identifier.issn |
1050-2947 |
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dc.identifier.uri |
http://hdl.handle.net/2248/3085 |
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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 |
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dc.format.mimetype |
application/pdf |
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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 |