Basis-set expansion method for relativistic atoms in the atomic-nucleus model of a finite sphere of constant electric field
✍ Scribed by Osamu Matsuoka
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 407 KB
- Volume
- 172
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Use of a new atomic-nucleus model is proposed for relativistic atomic and molecular calculations; 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 Slatertype functions of "n=l" quantum numbers (e.g., lp, 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.