Relativistic coupled cluster calculations of spectroscopic and chemical properties for element 120

Details Relativistic coupled cluster calculations of spectroscopic and chemical properties for element 120 Relativistic coupled cluster calculations of spectroscopic and chemical properties for element 120

2012-02-16

arxiv.org/abs/1202.3527v1

Physics

Chemical Physics

Scientific paper

The coupled cluster calculations with accounting for relativistic effects to study spectroscopic and chemical properties of element 120 (E120) are performed. Similar calculations for Ba are also done and they are in a good agreement with the experimental data. Dissociation energies of diatomic X-H and X-Au molecules, where X=E120, Ba, are calculated; for E120 they are found to be $1.5\div2$ times smaller than those for Ba.

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