分極およびワニエ関数に対する第一原理計算 [in Japanese] First-principles Calculations for Polarization and Wannier Function [in Japanese]
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This article is a brief introduction to a modern polarization theory and first-principles calculations of maximally localized Wannier functions. Practical calculations for these quantities are presented as well as a useful application to the downfolding problem with the <I>ab initio</I> Wannier functions.
- J. Surf. Sci. Soc. Jpn.
J. Surf. Sci. Soc. Jpn. 29(7), 432-436, 2008-07-10
The Surface Science Society of Japan