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Density functional theory study of electronic structure and spectra of tetraoxa[8]circulenes

✍ Scribed by Boris F. Minaev; Gleb V. Baryshnikov; Valentina A. Minaeva

Book ID
116379920
Publisher
Elsevier
Year
2011
Tongue
English
Weight
616 KB
Volume
972
Category
Article
ISSN
2210-271X

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πŸ“œ SIMILAR VOLUMES

Density Functional Theory of Electronic
Density Functional Theory of Electronic Structure
✍ 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