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Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional

✍ Scribed by Prof. Dr. Stefan K. Estreicher; Dr. Daniel J. Backlund; Dr. Christian Carbogno; Prof. Dr. Matthias Scheffler

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
457 KB
Volume
50
Category
Article
ISSN
0044-8249

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✍ 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