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A Conceptual DFT Approach for the Evaluation and Interpretation of Redox Potentials.

✍ Scribed by Jan Moens; Paul Geerlings; Goedele Roos

Publisher
John Wiley and Sons
Year
2007
Weight
12 KB
Volume
38
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES

Correlation potentials for the He atom a
Correlation potentials for the He atom and the hydrogen molecule: A comparison between the correlation factor approach and DFT correlation energy functionals
✍ Federico MoscardΓ³; Angel J. PΓ©rez-JimΓ©nez πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 251 KB πŸ‘ 2 views

Two points about correlation potentials have been dealt with in this article. The first one is related to the shape of some of the most representative correlation potentials applied to the ground state of the He atom. It is shown here that both LDA and two-body density correlation potentials compare