Finite-basis-set approach to the Dirac equation for atoms in a Dirac-Fock-Slater potential

Journal Article · Mon Jun 15 04:00:00 EDT 1987 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.35.4942· OSTI ID:6481306

Mukoyama, T; Lin, C

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 kappa>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.

• Research Organization: Department of Physics, Kansas State University, Manhattan, Kansas 66506
• OSTI ID: 6481306
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 35:12; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
DIFFERENTIAL EQUATIONS
DIRAC EQUATION
EIGENVALUES
ELECTRONIC STRUCTURE
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
EQUATIONS
FERMIONS
FUNCTIONS
INNER-SHELL IONIZATION
IONIZATION
LEPTONS
METALS
PARTIAL DIFFERENTIAL EQUATIONS
POTENTIALS
SLATER METHOD
TESTING
VALIDATION
WAVE EQUATIONS
WAVE FUNCTIONS