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A model for the electronic structures of chromium and manganese

โœ Scribed by H. E. N. Stone


Publisher
Springer
Year
1982
Tongue
English
Weight
101 KB
Volume
1
Category
Article
ISSN
0261-8028

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A model for the electronic structures of
โœ Yukihiro Okuno; Hideo Fukutome ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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