dorsal/arxiv
View SchemaRelativistic unitary coupled cluster theory and applications
| Authors | Chiranjib Sur, Rajat K Chaudhuri, Bijaya K. Sahoo, B. P. Das, D. Mukherjee |
|---|---|
| Categories | |
| ArXiv ID | physics/0502033 |
| URL | https://arxiv.org/abs/physics/0502033 |
Abstract
We present the first formulation and application of relativistic unitary coupled cluster theory to atomic properties. The remarkable features of this theory are highlighted, and it is used to calculate the lifetimes of $5^{2}D_{3/2}$ and $6^{2}P_{3/2}$ states of $Ba^{+}$ and $Pb^{+}$ respectively. The results clearly suggest that it is very well suited for accurate \emph{ab initio} calculations of properties of heavy atomic systems.
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"abstract": "We present the first formulation and application of relativistic unitary\ncoupled cluster theory to atomic properties. The remarkable features of this\ntheory are highlighted, and it is used to calculate the lifetimes of\n$5^{2}D_{3/2}$ and $6^{2}P_{3/2}$ states of $Ba^{+}$ and $Pb^{+}$ respectively.\nThe results clearly suggest that it is very well suited for accurate \\emph{ab\ninitio} calculations of properties of heavy atomic systems.",
"arxiv_id": "physics/0502033",
"authors": [
"Chiranjib Sur",
"Rajat K Chaudhuri",
"Bijaya K. Sahoo",
"B. P. Das",
"D. Mukherjee"
],
"categories": [
"physics.atom-ph",
"physics.chem-ph",
"physics.comp-ph"
],
"title": "Relativistic unitary coupled cluster theory and applications",
"url": "https://arxiv.org/abs/physics/0502033"
},
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