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

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.

arXiv comment7 pages, 5 tables, no figures

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• Theoretical study of electronic structure of hafnium (Hf, Z=72) and rutherfordium (Rf, Z=104) atoms and their ions: Energy levels and hyperfine structure constants
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