A new efficient procedure to calculate the structure constants in the Green's-function method is presented. The conventional algorithm in terms of the Ewald sums is replaced by alternate and quite convenient analytic expressions. As a specific test the conduction bands of solid neon are obtained. The relationship with the Segall-Yang approach is discussed.
STRUCTURE CONSTANTS IN THE GREEN-FUNCTION METHOD - A NEW ANALYTIC EVALUATION
GROSSO, GIUSEPPE;
1983-01-01
Abstract
A new efficient procedure to calculate the structure constants in the Green's-function method is presented. The conventional algorithm in terms of the Ewald sums is replaced by alternate and quite convenient analytic expressions. As a specific test the conduction bands of solid neon are obtained. The relationship with the Segall-Yang approach is discussed.File in questo prodotto:
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