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Reflectance spectra of β -, θ -, and κ-(BEDT-TTF)2I3, and β″- and β′-(BEDT-TTF)2ICl2: Relation between the inter-band transition and the dimeric structure

✍ Scribed by Kuroda, H.; Yakushi, K.; Tajima, H.; Ugawa, A.; Tamura, M.; Okawa, Y.; Kobayashi, A.; Kato, R.; Kobayashi, H.; Saito, G.

Book ID
122729173
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
365 KB
Volume
27
Category
Article
ISSN
0379-6779

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A model for the electronic structures of
A model for the electronic structures of β and κ-(BEDT-TTF)2X
✍ Yukihiro Okuno; Hideo Fukutome 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 583 KB

A simple microscopic model is obtained for 0 and K-(BEDT-TTF)2X starting from the PPP model with hyperconjugation of BEDT-TTF. UHF calculations for clusters with intramolecular electron Coulomb interaction show that only HOMOs are important in the crystals and for most value of the screened electron