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Electronic structure of copper phthalocyanine: A comparative density functional theory study

✍ Scribed by Marom, Noa; Hod, Oded; Scuseria, Gustavo E.; Kronik, Leeor


Book ID
115452079
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
811 KB
Volume
128
Category
Article
ISSN
0021-9606

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Density Functional Theory of Electronic
✍ Kohn, W.; Becke, A. D.; Parr, R. G. πŸ“‚ Article πŸ“… 1996 πŸ› American Chemical Society 🌐 English βš– 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 Ξ¨(r 1 ,r 2 ,r 3 ,...). Having been widely used for over 30 years by physicists working on the electronic structure of