TiO bands in composite systems
نویسندگان
چکیده
منابع مشابه
Maximally localized generalized Wannier functions for composite energy bands
We discuss a method for determining the optimally localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ‘‘generalized Wannier functions’’ we mean a set of localized orthonormal orbitals spanning the same space as the specified set of Bloch bands. Although we minimize a functional that represents the total spread (n^r &n2^r&n 2 of the Wann...
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ژورنال
عنوان ژورنال: Symposium - International Astronomical Union
سال: 1993
ISSN: 0074-1809
DOI: 10.1017/s0074180900123393