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Thierry Deutsch

Publications and source records attributed to Thierry Deutsch.

2 recordsLinked to original sources
PubMed2006

Efficient solution of Poisson's equation with free boundary conditions.

Interpolating scaling functions give a faithful representation of a localized charge distribution by its values on a grid. For such charge distributions, using a fast Fourier method, we obtain highly accurate electrostatic potentials for free boundary conditions at the cost of O(N log N) operations, where N is the number of grid points. Thus, with our approach, free boundary conditions are treated as efficiently as the periodic conditions via plane wave methods.

Journal Article↗
PubMed2002

A fourfold coordinated point defect in silicon.

Vacancies, interstitials, and Frenkel pairs are considered to be the basic point defects in silicon. We challenge this point of view by presenting density functional calculations that show that there is a stable point defect in silicon that has fourfold coordination and is lower in energy than the traditional defects.

Journal Article↗