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Wigner Seitz cellular method

Cellular Method. The cellular method of Wigner and Seitz (1933) assumes that the solid is divided into "cells" with an ionic core at the origin the atomic wavefunction is of the type... [Pg.475]

Cellular or Linearized Muffin-Tin Orbital (LMTO) method This approach, originally developed by Wigner and Seitz [44], considers the solid as made up of cells (the Wigner-Seitz or WS cells), which are the analog of the Brillouin Zones in real space. In each cell, the potential felt by the electrons is the atomic potential, which is spherically symmetric around the atomic nucleus, but its boundaries are those of the WS cell, whose shape is dictated by the crystal. Due to the Bloch character of wavefimctions, the following boundary conditions must be obeyed at the boundary of the WS cell, denoted by r, ... [Pg.140]


See other pages where Wigner Seitz cellular method is mentioned: [Pg.366]    [Pg.366]    [Pg.211]    [Pg.226]    [Pg.252]    [Pg.211]    [Pg.95]    [Pg.356]    [Pg.290]    [Pg.19]    [Pg.19]    [Pg.472]    [Pg.191]    [Pg.11]    [Pg.143]    [Pg.441]    [Pg.63]    [Pg.64]   
See also in sourсe #XX -- [ Pg.464 , Pg.475 ]




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