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 language | English |
|---|---|
| Pages (from-to) | 4495-4501 |
| Number of pages | 7 |
| Journal | Physical Review B |
| Volume | 46 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - 1992 |
ASJC Scopus subject areas
- Condensed Matter Physics
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Oh, Y., Badralexe, E., Marksteiner, P., & Freeman, A. J. (1992). Poisson equation with periodic boundary conditions: Multipole-expansion solution. Physical Review B, 46(8), 4495-4501. https://doi.org/10.1103/PhysRevB.46.4495