Effect of relativity and electron correlation in static dipole polarizabilities of ytterbium and nobelium
- 20 March 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 79 (3) , 032512
Abstract
Static dipole polarizabilities for the electronic ground state of neutral Yb and No are investigated by all-electron relativistic coupled cluster theory. We find a significant reduction in the polarizability due to both electron correlation and scalar-relativistic effects. Whereas electron correlation effects are of the same size as relativistic contributions for Yb, for No relativistic effects are dominant and result in smaller polarizability for No compared to Yb. In comparison the contributions from spin-orbit coupling and Gaunt interaction are rather small. Our recommended dipole polarizabilities for Yb and No are 140.7 and 110.8 a.u., respectively.Keywords
This publication has 42 references indexed in Scilit:
- The Lanthanide Contraction RevisitedJournal of the American Chemical Society, 2007
- Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119Physical Review A, 1999
- A fully relativistic Dirac–Hartree–Fock and second-order Mo/ller–Plesset study of the lanthanide and actinide contractionThe Journal of Chemical Physics, 1998
- Principles of direct 4-component relativistic SCF: application to caesium aurideMolecular Physics, 1997
- The chemistry of the superheavy elements. I. Pseudopotentials for 111 and 112 and relativistic coupled cluster calculations for (112)H+, (112)F2, and (112)F4The Journal of Chemical Physics, 1997
- Transition energies of ytterbium, lutetium, and lawrencium by the relativistic coupled-cluster methodPhysical Review A, 1995
- Lanthanide and Actinide Contractions: Relativistic and Shell Structure EffectsJournal of the American Chemical Society, 1995
- Relativistic and electron-correlation contributions to the dipole polarizability of the alkaline-earth-metal atoms Ca, Sr, and BaPhysical Review A, 1991
- Hartree-Fock values of coupling constants, polarizabilities, susceptibilities, and radII for the neutral atoms, helium to nobeliumAtomic Data and Nuclear Data Tables, 1973
- Über den Stoß zweier Teilchen unter Berücksichtigung der Retardation der KräfteThe European Physical Journal A, 1931