Computational Molecular and Material Design
نویسندگان
چکیده
منابع مشابه
Computational Design of Flat-Band Material
Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been fou...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2010
ISSN: 1347-3824,1347-1767
DOI: 10.2477/jccj.h2132m