Solution of the Poisson equation for infinite and semi-infinite systems including near field corrections for charge densities of arbitrary shape

R. Hammerling, J. Zabloudil, L. Szunyogh, P. Weinberger

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

A method for solving the Poisson equation is presented for systems with three- or two-dimensional translational lattice symmetry, the latter applying to surfaces, interfaces or slabs. Special attention is given to the so-called near field correction (NFC), namely to a correction to the electrostatic potential arising from neighbouring (or near) cells, that is inherent, e.g. to the full-potential KKR method. The results of numerical tests presented serve to illustrate the effect of the NFC. Furthermore, the question of the convergence of 'internal' angular momentum sums is addressed and discussed in detail.

Original languageEnglish
Pages (from-to)25-48
Number of pages24
JournalPhilosophical Magazine
Volume86
Issue number1
DOIs
Publication statusPublished - Jan 1 2006

ASJC Scopus subject areas

  • Condensed Matter Physics

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