Poisson equation with periodic boundary conditions: Multipole-expansion solution

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

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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
Issue number8
Publication statusPublished - 1992


ASJC Scopus subject areas

  • Condensed Matter Physics

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