dc.contributor.author |
Chaudhuri, R. K |
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dc.contributor.author |
Panda, P. K |
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dc.contributor.author |
Merlitz, H |
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dc.contributor.author |
Das, B. P |
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dc.contributor.author |
Mahapatra, U. S |
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dc.contributor.author |
Mukherjee, D |
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dc.date.accessioned |
2008-08-12T09:30:34Z |
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dc.date.available |
2008-08-12T09:30:34Z |
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dc.date.issued |
2000-11 |
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dc.identifier.citation |
Journal of Physics B: Atomic, Molecular, and Optical Physics, Vol. 33, No. 22, pp. 5129 - 5138 |
en |
dc.identifier.issn |
0953-4075 |
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dc.identifier.uri |
http://hdl.handle.net/2248/3093 |
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dc.description |
Restricted Access |
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dc.description.abstract |
We 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. |
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dc.format.extent |
3894 bytes |
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dc.format.mimetype |
application/pdf |
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dc.language.iso |
en |
en |
dc.publisher |
Institute of Physics |
en |
dc.relation.uri |
http://www.iop.org/EJ/abstract/0953-4075/33/22/314/ |
en |
dc.subject |
Relativistic |
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dc.subject |
CCLRT |
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dc.subject |
RCCLRT |
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dc.subject |
Ionization Potentials |
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dc.subject |
Multi-Reference Coupled Cluster |
en |
dc.title |
Ionization potentials of beryllium-like ions from the relativistic coupled-cluster-based linear response theory |
en |
dc.type |
Article |
en |