Abstract
AbstractA new method for quantum‐mechanical calculations of electronic states in a concrete amorphous material is proposed. This method is a modification of Kohn's variational method for crystals. The volume and surface integrals for one cell are replaced by the sum of integrals over all cells and intercellular boundaries. The linear combination describing the wave function in each cell includes terms accounting for the deformation of the cell; thus the correlation between local atomic configuration and electronic wave function is taken into consideration.
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