On the accuracy of Dirac-Hartree-Fock calculations using analytic basis sets
- 1 January 1989
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 22 (2), L15-L19
- https://doi.org/10.1088/0953-4075/22/2/001
Abstract
It is shown that basis set approximation techniques provide a method for solving the Dirac-Hartree-Fock equations which is comparable in accuracy to finite difference approaches, provided attention is paid to the analytic form of the basis functions and to their completeness properties. Numerical examples are presented for Ar and Ar-like ions.Keywords
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