Properties from relativistic coupled-cluster without truncation: hyperfine constants of $^{25}{\rm Mg}^+$, $^{43}{\rm Ca}^+ $, $^{87}{\rm Sr}^+ $ and $^{137}{\rm Ba}^+$

TL;DR

This paper introduces an iterative, non-truncated coupled-cluster method for calculating atomic properties, validated on hyperfine constants of alkaline Earth ions, and identifies an optimal operator form for accurate results.

Contribution

The paper presents a novel iterative scheme for coupled-cluster property calculations without truncation, improving accuracy in hyperfine constant predictions.

Findings

Validated method on alkaline Earth ions hyperfine constants

Analyzed higher order terms for optimal operator form

Recommended an improved dressed operator for properties calculations

Abstract

We demonstrate an iterative scheme for coupled-cluster properties calculations without truncating the dressed properties operator. For validation, magnetic dipole hyperfine constants of alkaline Earth ions are calculated with relativistic coupled-cluster and role of electron correlation examined. Then, a detailed analysis of the higher order terms is carried out. Based on the results, we arrive at an optimal form of the dressed operator. Which we recommend for properties calculations with relativistic coupled-cluster theory.