استعرض Academic Bibliography - NUB حسب الموضوع "Density functional theory,"
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Improved calculation of the electronic and optical properties of tetragonal barium titanate
(Springer, 2014)The electronic and optical properties of tetragonal barium titanate (BaTiO3) have been investigated by use of first-principles density functional theory on a plane wave basis, by use of norm-conserving pseudopotentials in ...