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Correlation factor approach to the correlation energy functional

✍ Scribed by L. Pastor-Abia; A. Pérez-Jiménez; J. M. Pérez-Jordá; J. C. Sancho-García; E. San-Fabián; F. Moscardó

Book ID
105885627
Publisher
Springer
Year
2004
Tongue
English
Weight
390 KB
Volume
111
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

New functionals for correlation energy d
New functionals for correlation energy deduced in the framework of the correlation factor approach
✍ F. Moscardó; A. J. Pérez-Jiménez 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 192 KB 👁 2 views

The general characteristics of two-body density functionals TBDF are explored and two new correlation energy functionals are derived using the correlation factor approach. The optimization of the parameters entering the above functionals requires exact and accurate Ž . atomic correlation energies AC

Improved correlation energy functional
Improved correlation energy functional
✍ Antonios G. Koures; Frank E. Harris 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 326 KB

Irregularities in the connection of the high-and low-density forms of the Perdew-Zunger correlation energy functional lead to computational difficulties that are removed by a new parametrization. These parametrizations and a number of other correlation functionals are compared and discussed.

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 Moscardó; Angel J. Pérez-Jiménez 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 251 KB 👁 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