Electron correlation effects in the dipole polarizabilities of the ground states of Be, Mg, Ca, Sr, Ba and Yb

TL;DR

This paper uses relativistic coupled-cluster theory to analyze electron correlation effects on the dipole polarizabilities of ground state alkaline earth and ytterbium atoms, providing accurate calculations without sum-over-states.

Contribution

It introduces a direct first-order perturbed RCC method for calculating polarizabilities, improving accuracy over traditional sum-over-states approaches.

Findings

Results agree well with experimental data.

Electron correlation significantly affects polarizability values.

Method provides a reliable framework for similar atomic property calculations.

Abstract

We investigate the role of electron correlation effects in the electric dipole polarizabilities of the ground states of the alkaline earth and ytterbium atoms by employing the relativistic coupled-cluster (RCC) theory. These effects are incorporated via the residual Coulomb interaction to all orders in the RCC singles and doubles approximation. The perturbed wavefunctions used in the calculations of the polarizabilities are obtained by directly solving the first order perturbed RCC equations, thereby avoiding the sum-over-states approach. Our results are compared with other calculations and available experimental data.