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

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.

6 pages, 8 tables

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Cited by in corpus (10)

• Correlation trends in the ground state static electric dipole polarizabilities of closed-shell atoms and ions
• Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples
• Perturbed Coupled-Cluster theory to calculate dipole polarizabilities of closed shell systems: Application to Ar, Kr, Xe and Rn
• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• RCC calculation of electric dipole polarizability and correlation energy of Cn, Nh${}^{+}$ and Og: Correlation effects from lighter to superheavy elements
• Electric dipole polarizability of group-IIIA ions using PRCC: Large correlation effects from nonlinear terms
• Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• Electric dipole polarizabilities of alkali metal ions from perturbed relativistic coupled-cluster theory
• Relativistic and Electron Correlation Effects in Static Dipole Polarizabilities for Main-Group Elements