Breit-Pauli and Direct Perturbation Theory Calculations of Relativistic Helium Polarizability
- 18 June 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 86 (25) , 5675-5678
- https://doi.org/10.1103/physrevlett.86.5675
Abstract
Large Gaussian-type geminal wave function expansions and direct perturbation theory (DPT) of relativistic effects have been applied to calculate the relativistic contribution to the static dipole polarizability of the helium atom. It has been demonstrated that DPT is superior for this purpose to traditional Breit-Pauli calculations. The resulting value of the molar polarizability of is , including a literature estimate of QED effects. As a by-product, a very accurate value of the nonrelativistic helium second hyperpolarizability, atomic units (without the mass-polarization correction), has been obtained.
Keywords
This publication has 28 references indexed in Scilit:
- Relativistic MCSCF by means of quasidegenerate direct perturbation theory. II. Preliminary applicationsThe Journal of Chemical Physics, 2000
- Effective Hamiltonian for near-degenerate states in relativistic direct perturbation theory. II. H2+-like systemsThe Journal of Chemical Physics, 1998
- Direct perturbation theory of relativistic effects for explicitly correlated wave functions: The He isoelectronic seriesThe Journal of Chemical Physics, 1997
- Accurate relativistic energies of one- and two-electron systems using Gaussian wave functionsThe Journal of Chemical Physics, 1996
- Perturbation theory of relativistic correctionsThe European Physical Journal D, 1990
- Relativistic perturbation theory of chemical propertiesTheoretical Chemistry Accounts, 1990
- Perturbation theory of relativistic correctionsThe European Physical Journal D, 1989
- Relativistic perturbation theory: II. One-electron variational perturbation calculationsJournal of Physics B: Atomic and Molecular Physics, 1986
- Relativistic perturbation theory. III. A new perturbation approach to the two-electron Dirac-Coulomb equationJournal of Physics B: Atomic and Molecular Physics, 1986
- Relativistic perturbation theory. I. A new perturbation approach to the Dirac equationJournal of Physics B: Atomic and Molecular Physics, 1986