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Density functional theory study of the electronic structure of fluorite Cu 2 Se

✍ Scribed by Råsander, Mikael; Bergqvist, Lars; Delin, Anna


Book ID
120314890
Publisher
Institute of Physics
Year
2013
Tongue
English
Weight
462 KB
Volume
25
Category
Article
ISSN
0953-8984

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Density Functional Theory of Electronic
✍ Kohn, W.; Becke, A. D.; Parr, R. G. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 403 KB

Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density distribution n(r), instead of the many-electron wave function Ψ(r 1 ,r 2 ,r 3 ,...). Having been widely used for over 30 years by physicists working on the electronic structure of