journal article·2006-01

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

Philosophical Magazine· Volume 86· Issue 1
Publisher page

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.
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Research context

OpenAlex topics: Advancements in Battery Materials · Gas Dynamics and Kinetic Theory · Graphene research and applications

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