Uncertainty corrections to the Thomas-Fermi theory
β Scribed by P.K. Chattaraj; B.M. Deb
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 237 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 are quite good; in particular, most or rhe resulls from the second correc[iori are probably rhe best reported so far.
π SIMILAR VOLUMES
Second-order perturbation theory corrections to effective Fermi resonance coupling constants have been derived analytically within the framework of the traditional rectilinear normal coordinate approach to the analysis of anharmonic molecular vibrations. These corrections have been evaluated for a r
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
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