A finite set of Slater-type orbitals is used as a basis to solve the Dirac equation for atoms in a Dirac-Fock-Slater potential. The energy eigenvalues thus obtained are in good agreement with the results from the numerical solution of the Dirac equation except that a spurious root always occurs for >0. It is shown that despite this spurious root the method still gives good approximate atomic energy eigenvalues and wave functions. This implies that the finite-basis-set expansion method can be applied to relativistic atomic structure and atomic collision calculations.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics