## Abstract The piecewise exponentially decaying electron density model of Wang and Parr is used to calculate the diagmagnetic shielding constants of firstβrow atoms. Numerical results are presented for all firstβrow atoms and comparisons are made with the results obtained from the oneβzone (i.e.,
Statistical atomic models with piecewise exponentially decaying electron densities
β 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
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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 FermiαAmaldi model for exchange correlation. The model is exact for hydrogen-like atoms. It is shown to provide a reasonable approximation for many-e
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