Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119
Abstract
Static dipole polarizabilities αD 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 αD are roughly ~Z2 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 αD value comparable to that of sodium.
- Publication:
-
Physical Review A
- Pub Date:
- October 1999
- DOI:
- 10.1103/PhysRevA.60.2822
- Bibcode:
- 1999PhRvA..60.2822L
- Keywords:
-
- 32.10.Dk;
- 32.10.Hq;
- 31.25.Eb;
- 31.30.Jv;
- Electric and magnetic moments polarizability;
- Ionization potentials electron affinities;
- Electron correlation calculations for atoms and ions: ground state;
- Relativistic and quantum electrodynamic effects in atoms and molecules