Relativistic unitary coupled cluster theory and applications

Chiranjib Sur; Rajat K Chaudhuri; Bijaya K. Sahoo; B. P. Das; D. Mukherjee

Relativistic unitary coupled cluster theory and applications

Atomic Physics 2007-05-23 v1 Chemical Physics Computational Physics

Authors: Chiranjib Sur , Rajat K Chaudhuri , Bijaya K. Sahoo , B. P. Das , D. Mukherjee

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.

Keywords

atomic clusters and nuclear clustering relativistic atomic physics

Cite

@article{arxiv.physics/0502033,
  title  = {Relativistic unitary coupled cluster theory and applications},
  author = {Chiranjib Sur and Rajat K Chaudhuri and Bijaya K. Sahoo and B. P. Das and D. Mukherjee},
  journal= {arXiv preprint arXiv:physics/0502033},
  year   = {2007}
}

Comments

Revtex, 4 EPS figures

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