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March 15, 1982Physical review. B, Condensed matter125 citations

Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations

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KHKai‐Ming HoJIJisoon IhmJJJohn D. Joannopoulos

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Abstract

A scheme is devised which drastically reduces the number of iterations required to reach self-consistency in electronic-structure calculations. This scheme is particularly helpful in calculations for systems with large unit cells.

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Ho et al. (1982) studied this question.

synapsesocial.com/papers/695faa850e51a884aed07f2ahttps://doi.org/10.1103/physrevb.25.4260
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