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Statistical atomic models with piecewise exponentially decaying electron densities

✍ Scribed by Wang, Wen-Ping; Parr, Robert G.


Book ID
121186051
Publisher
The American Physical Society
Year
1977
Tongue
English
Weight
833 KB
Volume
16
Category
Article
ISSN
1050-2947

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πŸ“œ SIMILAR VOLUMES


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✍ Livjeet Kaur πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 139 KB

## Abstract The piecewise exponentially decaying electron density model of Wang and Parr is used to calculate the diagmagnetic shielding constants of first‐row atoms. Numerical results are presented for all first‐row atoms and comparisons are made with the results obtained from the one‐zone (i.e.,

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A simple model is studied for the atomic exchange energy density functional, which is based on the exponential decaying feature of the density and the Fermi᎐Amaldi model for exchange correlation. The model is exact for hydrogen-like atoms. It is shown to provide a reasonable approximation for many-e

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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