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arXiv:physics/0012024[EN]: Reciprocal-space methods for solving Poisson's equation for finite charge distributions are investigated. Improvements to previous proposals are presented, and their performance is compared in the context of a real-space density-functional-theory code. Two basic methodologies are followed: Calculation of correction terms and imposition of a cutoff to the Coulomb potential. We conclude that these methods can be safety applied to finite or aperiodic systems with a reasonable control of speed and accuracy.[FR]: Nous étudions des méthodes dans l’espace réciproque afin de résoudre l’équation de Poisson pour des distributions finies de charge. Nous présentons les améliorations nouvelles et comparons leur performance dans le contexte de la théorie des densités fonctionnelles dans l’espace réel. Nous suivons deux méthodologies de base, celle avec termes de calcul et de correction et celle de la coupure du potentiel de Coulomb. Nous\udconcluons que ces méthodes peuvent être utilisées avec confiance pour étudier les systèmes finis ou apériodiques, avec un contrôle raisonnables sur la vitesse et la précision du calcul.We also acknowledge financial support from JCyL (grant VA 28/99) and DGES (grant DGES-PB98-0345), and under European Community TMR contract NANOPHASE: HPRN-CT-2000-00167. A.C. acknowledges financial support by the MEC. M.J.S. acknowledges the support of the Natural Sciences and Engineering Research Council of Canada; of Iberdrola, through its visiting-professor program; and of the Universidad de Valladolid, where this work began.Peer Reviewe

Solution of Poisson's equation for finite systems using plane-wave methods