Non-conventional tight-binding method for simulation of atomic clusters and solids
نویسندگان
چکیده
منابع مشابه
Tight-binding theory of molecules and solids
A general tight-binding analysis is described which differs from traditional methods in that 1) analytical forms are derived and utilized for obtaining the coupling parameters, and 2) the calculation of electronic-state energies is simplified sufficiently that they also can be obtained analytically. With these two features it becomes possible to write formulae for a wide range of bonding, diele...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2006
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/29/1/034