Relativistic Effects In Atoms Research Articles

Relativistic treatment of outer electron orbitals

Recent advances in the methods for computing relativistic Hartree-Fock wave functions have led to a revival of interest in investigating relativistic effects in atoms. While many papers have been related to topics in which these effects are obviously important such as K shell ionization energies for heavy elements, superheavy elements, etc., less attention has been spent on the indirect relativistic effects and on the comparison of the relative importance of correlation and relativistic effects. These latter two points are illustrated by a small number of examples drawn from various fields such as hyperfine interaction, optical spectra, and oscillator strengths. This review of recent applications of relativistic calculations shows the importance of relativistic effects to improve the agreement between ab initio caclulations and experimental results.

Study of relativistic effects in atoms and molecules by the kinetically balanced LCAO approach: Ground state of hydrogen and of hydrogenic atoms in Slater and Gaussian basis functions

Study of relativistic effects in atoms and molecules by the kinetically balanced LCAO approach: Ground state of hydrogen and of hydrogenic atoms in Slater and Gaussian basis functions

Relativistic phenomena in atomic and chemical physics: Opportunities for studies with synchrotron radiation

Opportunities for investigations in atomic and chemical physics are summarized that may arise as next-generation synchrotron-radiation sources become operational. Recent progress in the study of relativistic effects in atoms is reviewed and some applications to chemistry are discussed. It is pointed out that measurements with highly monochromatic, tunable hard X-rays will make it possible to perform important tests of relativistic phenomena in atoms and molecules.

Application of configuration interaction for the study of relativistic effects in atoms and molecules

Abstract

Kinematic Analysis of Photoelectrons from Polarized Targets withJ=12

A complete kinematic analysis of photoelectrons from polarized targets with total angular momentum J = 1/2 is given for the first time. Several simple experiments are suggested to test correlation and relativistic effects in atoms or molecules.

Relativistic effects in many electron atoms

With the increasing accuracy of experimental data obtained from high resolution techniques, it becomes necessary to introduce relativistic effects into the study of atomic structure. A general method of evaluating relativistic effects in atomic structure problems is described. Each operator is expressed as a product of irreducible tensors whose matrix elements are calculated using Racah algebra techniques. The question at what stage the Breit interaction should be included in the Hamiltonian is discussed.

The scalar relativistic approximation

A new method has recently been proposed for the approximate calculation of relativistic effects in atoms and solids. In this method, which is called the scalar relativistic approximation (SRA), the spin-orbit coupling term appearing in Dirac's equation is dropped; occasionally the minority component of the wave function is also neglected in defining the charge density. We propose here another derivation of the SRA that clarifies the approximations. A simple analytical treatment of the SRA for the hydrogen atom is given, and, as an example of the application of the SRA to the calculation of atomic states, results of self-consistent, local-density calculations for the ytterbium atom are given. The results show that, except for the spin-orbit splitting, relativistic effects (due to the Darwin and mass-velocity terms) are taken into account by the SRA very well.