POISSON EQUATION WITH PERIODIC BOUNDARY-CONDITIONS - MULTIPOLE-EXPANSION SOLUTION

被引：8

作者：

OH, Y

BADRALEXE, E

MARKSTEINER, P

FREEMAN, AJ

机构：

[1] Department of Physics and Astronomy, Northwestern University, Evanston

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.46.4495

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：4495 / 4501

页数：7

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