Wannier functionとは 意味・読み方・使い方

名詞

Wannier function (複数形 Wannier functions)

1. (physics) Any of a set of orthogonal functions used in solid-state physics; they are the localized molecular orbitals of crystalline systems.
   • 2016 April 26, Jie Ma, Lin-Wang Wang, “Using Wannier functions to improve solid band gap predictions in density functional theory”, in Scientific Reports, volume 6, →DOI, article 24924, page 2:

     The Wannier functions (WF)^35,36 are the most localized orbitals within the valence-band and conduction-band subspaces. Hence we will use WF as ϕ_l in Eqs (1) and (2).