Ab Initio Calculation of Tight-Binding Parameters
نویسندگان
چکیده
منابع مشابه
Ab initio tight binding
Empirical tight binding has proven to be very popular in recent years on account of its computational efficiency and accuracy. However, it has limitations, notably the difficulties associated with fitting parameters and improving models when the desired accuracy cannot be achieved. In the light of this, a number of efforts have been made to derive tight-binding models from first principles. Her...
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ژورنال
عنوان ژورنال: MRS Proceedings
سال: 1997
ISSN: 0272-9172,1946-4274
DOI: 10.1557/proc-491-199