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arXiv · 1406.0558

Combination of the single-double coupled cluster and the configuration interaction methods; application to barium, lutetium and their ions

V. A. Dzuba
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Abstract

A version of the method of accurate calculations for few valence-electron atoms which combines linearized single-double coupled cluster method with the configuration interaction technique is presented. The use of the method is illustrated by calculations of the energy levels for Ba, Ba$^+$, Lu, Lu$^+$ and Lu$^{2+}$. Good agreement with experiment is demonstrated and comparison with previous version of the method (Safronova {\em et al}, PRA {\bf 80}, 012516 (2009)) is made.

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V. A. Dzuba. 2014-06-03. Combination of the single-double coupled cluster and the configuration interaction methods; application to barium, lutetium and their ions. https://doi.org/10.1103/physreva.90.012517

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