| Numéro |
J. Phys. Colloques
Volume 48, Numéro C9, Décembre 1987
X-Ray and Inner-Shell ProcessesVol. 1 |
|
|---|---|---|
| Page(s) | C9-523 - C9-526 | |
| DOI | https://doi.org/10.1051/jphyscol:1987985 | |
X-Ray and Inner-Shell Processes
Vol. 1
J. Phys. Colloques 48 (1987) C9-523-C9-526
DOI: 10.1051/jphyscol:1987985
1 Institute for Chemical Research, Kyoto University, Yoshida, Kyoto 606, Japan
2 Department of Physics, Kansas State University, Manhattan, KS 66506, U.S.A.
Vol. 1
J. Phys. Colloques 48 (1987) C9-523-C9-526
DOI: 10.1051/jphyscol:1987985
BASIS-SET EXPANSION OF THE DIRAC EQUATION FOR ATOMS
T. MUKOYAMA1 and C.-D. LIN21 Institute for Chemical Research, Kyoto University, Yoshida, Kyoto 606, Japan
2 Department of Physics, Kansas State University, Manhattan, KS 66506, U.S.A.
Abstract
The solutions of the matrix representation of the Dirac equation for atoms in the Dirac-Fock-Slater potential are obtained by the finite-basis-set expansion method. Slater-type orbitals are used as basis functions. The energy eigenvalues are in good agreement with those obtained from the numerical solution of the Dirac equation except for a spurious root for κ > 0. Despite this spurious root, the present method is found to give good approximate atomic energy eigenvalues and wave functions.