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 |
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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 journal › Article
}
TY - JOUR
T1 - Poisson equation with periodic boundary conditions
T2 - Multipole-expansion solution
AU - Oh, Yoonsik
AU - Badralexe, E.
AU - Marksteiner, P.
AU - Freeman, Arthur J
PY - 1992
Y1 - 1992
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0001240765&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001240765&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.46.4495
DO - 10.1103/PhysRevB.46.4495
M3 - Article
VL - 46
SP - 4495
EP - 4501
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 8
ER -