Wannier functions of triple- and single-bonded nitrogen dimers in palladium nitride.
The Wannier functions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937.[1][2] Wannier functions are the localized molecular orbitals of crystalline systems.
The Wannier functions for different lattice sites in a crystal are orthogonal, allowing a convenient basis for the expansion of electron states in certain regimes. Wannier functions have found widespread use, for example, in the analysis of binding forces acting on electrons.
^Wannier Gregory H (1937). "The Structure of Electronic Excitation Levels in Insulating Crystals". Physical Review. 52 (3): 191–197. Bibcode:1937PhRv...52..191W. doi:10.1103/PhysRev.52.191.
^Wannier, Gregory H. (1 September 1962). "Dynamics of Band Electrons in Electric and Magnetic Fields". Reviews of Modern Physics. 34 (4). American Physical Society (APS): 645–655. Bibcode:1962RvMP...34..645W. doi:10.1103/revmodphys.34.645. ISSN 0034-6861.
The Wannierfunctions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937. Wannier functions...
isolated atoms, the Wannierfunction would become an isolated atomic orbital. That limit suggests the choice of an atomic wave function as an approximate...
Cu-Pt type ordering in III-V semiconductor Tube-based nanostructures Wannierfunction Johansson; Linde (1925). "The X-ray determination of the atomic arrangement...
Gregory Hugh Wannier (1911–1983) was a Swiss physicist. He developed a complete set of orthogonal functions known as the Wannierfunctions which became...
based upon the crystal potential. Wannierfunctions on different atomic sites R are orthogonal. The Wannierfunctions can be used to form the Schrödinger...
cells, and the ϕ R {\displaystyle \phi _{\mathbf {R} }} are known as Wannierfunctions. The corresponding eigenvalues E ( k ) {\displaystyle E\left(\mathbf...
delocalized, symmetry adapted molecular orbitals used in molecules (while Wannierfunctions correspond to localized molecular orbitals). A number of important...
orbitals in systems with periodic boundary conditions are known as Wannierfunctions. Standard ab initio quantum chemistry methods lead to delocalized...
excitons are called Wannier-Mott excitons, for which the relative motion of electron and hole in the crystal covers many unit cells. Wannier-Mott excitons are...
have also found application as Wannierfunctions in the study of solids. The IBO method entails molecular wave-functions calculated using self-consistent...
curvature, the correlation function F ~ ( R ) {\displaystyle {\tilde {F}}({\bf {R}})} is a measure of the overlap of Wannierfunctions centered at two home...
states Electron and spin density Bader charges and critical points Wannierfunctions Total energies and energy differences Fermi surfaces Optical properties...
temperature T c {\displaystyle T_{c}} can be obtained from the Kramers–Wannier duality relation. Denoting the free energy per site as F ( K , L ) {\displaystyle...
also possible to extract the Kohn-Sham eigenfunctions in terms of Wannierfunctions. List of quantum chemistry and solid state physics software Wortmann...
interactions. They postulate the Mott insulator. Wannierfunctions are introduced by Gregory Wannier. Conyers Herring theorizes the possibility of Weyl...
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