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- W2034540916 abstract "Multiple scattering theory is used to obtain an exact secular equation for the energy eigenstates of an electron moving in the complicated potential of a large molecule or a disordered solid. The potential is assumed to be a superposition of overlapping atomic potentials. An exact representation of the T matrix is found, which allows the scattering of electrons in this potential to be described. The transformation to ordered lattices is carried out. The secular equation leads to the exact results of the Kronig-Penney model. The complicated exact expressions are simplified by the use of perturbation theory according to the part of the atomic Green function that corresponds to the continuous spectrum. In zero order, i.e. if the continuous spectrum is neglected completely, a LCAO-like eigenvalue equation is found. The connection is discussed between some of the most important methods of molecular and solid state theory." @default.
- W2034540916 created "2016-06-24" @default.
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- W2034540916 date "1979-09-14" @default.
- W2034540916 modified "2023-09-25" @default.
- W2034540916 title "Eigenstates of an electron in ordered and disordered ensembles of scatterers" @default.
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- W2034540916 doi "https://doi.org/10.1088/0022-3719/12/17/017" @default.
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