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Basis-set expansion method for relativistic atoms in the atomic-nucleus model of a finite sphere of constant electric field

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
172
Issue
2
Identifiers
DOI: 10.1016/0009-2614(90)87293-z
Disciplines
  • Physics

Abstract

Abstract Use of a new atomic-nucleus model is proposed for relativistic atomic and molecular calculaitons; the atomic nucleus has a sphere of finite size and the electric field in the sphere is assumed constant. It is shown that for the basis-set expansion method based on this model, the Slater-type functions of integral principal quantum numbers can be appropriately adopted and the Slater-type function of “ n=l” quantum numbers (e.g., 1p, 2d,3f, etc.) appearing in the point-nucleus model are not needed even if we use the scheme of kinetic balance. Test calculations on one-electron hydrogenic atoms imply the applicability of the proposed atomic-nucleus model to many-electron systems.

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