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

TL;DR

This paper uses relativistic coupled cluster calculations to predict spectroscopic and chemical properties of element 120, comparing results with barium and providing insights into its molecular dissociation energies.

Contribution

It presents the first relativistic coupled cluster calculations for element 120's properties, extending computational methods to superheavy elements.

Findings

Dissociation energies of E120 are 1.5 to 2 times smaller than Ba.

Calculated properties for Ba agree well with experimental data.

Provides theoretical predictions for E120's chemical behavior.

Abstract

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.