Two simple uncerk%nty correcGons IO Ihe Thomas-Fermi theory are suggesled. The firs1 is derived according LO statistical-mechanical considertnions. and the second is obtained by a semi-empirical cxwxxion 10 many-cloclron sysrcms or a spherical one-electron-syslem result. For bolh correclions resulls
Corrections to the Thomas-Fermi model of the atom
β Scribed by Myron Bander
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 599 KB
- Volume
- 144
- Category
- Article
- ISSN
- 0003-4916
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π SIMILAR VOLUMES
We propose an electron density in atoms and ions, which has the Thomas-Fermi-Dirac form in the intermediate region of r, satisfies the Kato condition for small r, and has the correct asymptotic behavior at large values of r, where r is the distance from the nucleus. We also analyze the perturbation
In the application of the optimized Thomas-Fermi theory to condensed phase systems, it has proved convenient to introduce a sum of atom-centered functions to represent the most rapidly varying part of the electron density near the nuclei. By extraction of this portion of the density, attention can b