Electric dipole polarizability from perturbed Relativistic Coupled-Cluster Theory: application to Neon

TL;DR

This paper introduces a relativistic coupled-cluster method to calculate atomic electric dipole polarizability, demonstrating good agreement with experimental data for Neon and highlighting the method's general applicability.

Contribution

The paper presents a novel perturbed relativistic coupled-cluster approach for calculating atomic properties under perturbations, applicable to many-electron atoms and ions.

Findings

Linearized PRCC results agree well with experiments

Nonlinear PRCC results have larger uncertainties

Method is versatile for various perturbations

Abstract

We develop a method based on the relativistic coupled-cluster theory to incorporate a perturbative interaction to the no-pair Dirac-Coulomb atomic Hamiltonian. The method is general and suitable to incorporate any perturbation Hamiltonian in a many electron atom or ion. Using this perturbed relativistic coupled-cluster (PRCC) theory we calculate the electric dipole polarizability, $\alpha$, of Neon. The linearized PRCC results are in very good agreement with the experimental value. However, the results of the nonlinear PRCC shows larger uncertainty but it is consistent with the observations from earlier works.