A non-iterative numerical solver of Poisson and Helmholtz equations using high-order finite-element functions

被引:7
作者
Berger, RJF [1 ]
Sundholm, D [1 ]
机构
[1] Univ Helsinki, Dept Chem, FIN-00014 Helsinki, Finland
来源
ADVANCES IN QUANTUM CHEMISTRY, VOL 50: A TRIBUTE TO JAN LINDERBERG AND POUL JORGENSEN | 2005年 / 50卷
基金
芬兰科学院;
关键词
D O I
10.1016/S0065-3276(05)50011-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A non-iterative finite-element solver for n-dimensional Poisson and Helmholtz equations has been developed. The electrostatic potential and the charge-density distributions are expanded in finite-element functions consisting of up to sixth-order Lagrange interpolation functions. The method can also be applied to differential equations in more than three-dimensional spaces. It is efficient and well suited for parallel computers, since the innermost loops constitute matrix multiplications and the outer ones can be used as parallelizing index on a parallel computer. The solution of the n-dimensional Poisson and Helmholtz equations scales as N((n+1)/(n)), where N = N-i(n) denotes the grid size and N-i is the number of element functions, i.e., the number grid points, in each dimension.
引用
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页码:235 / 247
页数:13
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