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
Numerical integration of atomic electron density with double exponential formula for density functional calculation
β Scribed by Masaki Mitani; Yasunori Yoshioka
- Book ID
- 113021745
- Publisher
- Springer
- Year
- 2012
- Tongue
- English
- Weight
- 569 KB
- Volume
- 131
- Category
- Article
- ISSN
- 1432-2234
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