Relativistic Normal Coupled-cluster Theory Analysis of Second- and Third-order Electric Polarizabilities of Zn I

Abstract

We present precise values of electric polarizabilities for the ground state of Zn due to second-order dipole and quadrupole interactions, and due to third-order dipole-quadrupole interactions. These quantities are evaluated in the linear response theory framework by employing a relativistic version of the normal coupled-cluster (NCC) method. The calculated dipole polarizability value is compared with available experimental and other theoretical results including those are obtained using the ordinary coupled-cluster (CC) methods in both finite-field and expectation value evaluation approaches. We also give a term-by-term comparison of contributions from our CC and NCC calculations in order to show differences in the results from these two methods. Moreover, we present results from other lower-order methods to understand the role of electron correlation effects in the determination of the above quantities. A machine learning based scheme to generate optimized basis functions for atomic calculations is developed and applied here. From the analysis of the dipole polarizability result, accuracy of the calculated quadrupole and third-order polarizability values are ascertained, for which no experimental values are currently available.

References in corpus (16)

• Coupled-cluster computations of atomic nuclei
• Theory and applications of atomic and ionic polarizabilities
• Reduced Limit on the Permanent Electric Dipole Moment of ${}^{199}$Hg
• Probing exotic phenomena at the interface of nuclear and particle physics with the electric dipole moments of diamagnetic atoms: A unique window to hadronic and semi-leptonic CP violation
• Electric dipole moments of Hg, Xe, Rn, Ra, Pu, and TlF induced by the nuclear Schiff moment and limits on time-reversal violating interactions
• Comparing a mercury optical lattice clock with microwave and optical frequency standards
• Narrow-line Cooling and Determination of Magic Wavelength of Cd
• Rigorous limits for hadronic and semi-leptonic CP-violating coupling constants from the electric dipole moment of ${}^{199}$Hg
• Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First application to ${}^{199}$Hg atom
• Improved limits on the hadronic and semi-hadronic CP violating parameters and role of a dark force carrier in the electric dipole moment of ${}^{199}$Hg
• Correlation trends in the ground state static electric dipole polarizabilities of closed-shell atoms and ions
• An {\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions
• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• Dipole Polarizability Calculation of Cd Atom: Inconsistency with experiment
• A Relativistic Many-Body Analysis of the Electric Dipole Moment of ${}^{223}$Rn
• Studies of the Electric Dipole Polarizability of ${}^{129}$Xe using the Relativistic Coupled Cluster and the Normal Coupled Cluster Methods

Cited by in corpus (4)

• All-optical Differential Radii in Zinc
• Relativistic and electron-correlation effects in static dipole polarizabilities for group 12 elements
• Coupled-cluster theory for trapped bosonic mixtures
• Demonstrating Correlation Trends in the Electric Dipole Polarizabilities of Many Low-lying States in Cs I through First-principle Calculations