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|Type:||Artigo de periódico|
|Title:||Formulation Of The Lattice Dynamics Problem In Terms Of Rigidly Moving Wannier Functions. I|
|Abstract:||A description of the lattice vibration spectrum of a crystal by means of moving Wannier functions is given. Except for orthogonality corrections, the motion of the Wannier functions is considered rigid. The amplitude and polarization of the Wannier function motion, following a given displacement of the nuclei, is determined by a minimization in the total energy of the crystal. The equations one obtains are analogous to those of a shell model, in which the shells are the charge densities of the Wannier functions instead of point charges in the vicinities of the nuclei.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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