Analytic Response Relativistic Coupled-Cluster Theory: The first application to indium isotope shifts

TL;DR

This paper introduces an analytic energy derivative approach within relativistic coupled-cluster theory to accurately calculate isotope shifts in atoms, demonstrated on indium isotopes with high precision measurements.

Contribution

It presents the first application of analytic response relativistic coupled-cluster theory to isotope shifts, overcoming limitations of previous methods.

Findings

Excellent agreement between theory and experiment for indium isotope shifts.

Accurate nuclear charge radii derived from theoretical and experimental data.

Method improves precision in multi-electron atomic calculations.

Abstract

With increasing demand for accurate calculation of isotope shifts of atomic systems for fundamental and nuclear structure research, an analytic energy derivative approach is presented in the relativistic coupled-cluster theory framework to determine the atomic field shift and mass shift factors. This approach allows the determination of expectation values of atomic operators, overcoming fundamental problems that are present in existing atomic physics methods, i.e. it satisfies the Hellmann-Feynman theorem, does not involve any non-terminating series, and is free from choice of any perturbative parameter. As a proof of concept, the developed analytic response relativistic coupled-cluster theory has been applied to determine mass shift and field shift factors for different atomic states of indium. High-precision isotope-shift measurements of $^{104-127}$In were performed in the 246.8-nm (5p $^2$P$_{3/2}$ $\rightarrow$ 9s $^2$S$_{1/2}$) and 246.0-nm (5p $^2$P$_{1/2}$ $\rightarrow$ 8s $^2$S$_{1/2}$) transitions to test our theoretical results. An excellent agreement between the theoretical and measured values is found, which is known to be challenging in multi-electron atoms. The calculated atomic factors allowed an accurate determination of the nuclear charge radii of the ground and isomeric states of the $^{104-127}$In isotopes, providing an isotone-independent comparison of the absolute charge radii.