Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119

Abstract

Static dipole polarizabilities ${\ensuremath{\alpha}}_{D}$ of the first main group elements from Li down to superheavy element 119 were calculated using a relativistic Douglas-Kroll Hamiltonian within an open-shell coupled-cluster theory. Spin-orbit effects were investigated using a fully relativistic four-component Dirac-Hartree-Fock scheme. Our final recommended values for the dipole polarizabilities from Li to Cs should be more accurate than currently available experimental data. Relativistic effects in ${\ensuremath{\alpha}}_{D}$ are roughly $\ensuremath{\sim}{Z}^{2}$ and we establish a clear relationship for relativistic and electron correlation effects between the dipole polarizability and the ionization potential of the neutral atom. Spin-orbit effects become non-negligible for Fr and element 119. For the latter, relativistic effects clearly dominate over electron correlation resulting in a very small ${\ensuremath{\alpha}}_{D}$ value comparable to that of sodium.