Poisson equation with periodic boundary conditions: Multipole-expansion solution

Yoonsik Oh, E. Badralexe, P. Marksteiner, Arthur J Freeman

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A multipole-expansion approach is given for solving the Poisson equation with periodic boundary conditions by using the (point-group) symmetry of the unit cell and the evaluation of lattice sums (i.e., the lattice Fourier transform). The accuracy of this approach is checked for a highly anisotropic soluble case as well as for the classical example of Cu. Numerical results for Cu show a drastic decrease of the computational time in comparison with the approach used in the full-potential linearized-augmented-plane-wave method.

Original languageEnglish
Pages (from-to)4495-4501
Number of pages7
JournalPhysical Review B
Volume46
Issue number8
DOIs
Publication statusPublished - 1992

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Point groups
Poisson equation
Crystal symmetry
multipoles
Fourier transforms
Boundary conditions
boundary conditions
expansion
plane waves
evaluation
symmetry
cells

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Poisson equation with periodic boundary conditions : Multipole-expansion solution. / Oh, Yoonsik; Badralexe, E.; Marksteiner, P.; Freeman, Arthur J.

In: Physical Review B, Vol. 46, No. 8, 1992, p. 4495-4501.

Research output: Contribution to journalArticle

Oh, Yoonsik ; Badralexe, E. ; Marksteiner, P. ; Freeman, Arthur J. / Poisson equation with periodic boundary conditions : Multipole-expansion solution. In: Physical Review B. 1992 ; Vol. 46, No. 8. pp. 4495-4501.
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