首页 | 本学科首页   官方微博 | 高级检索  
     


Efficient and accurate three-dimensional Poisson solver for surface problems
Authors:Genovese Luigi  Deutsch Thierry  Goedecker Stefan
Affiliation:Département de Recherche Fondamentale sur La Matière Condensée, SP2M/LSim, CEA-Grenoble, 38054 Grenoble Cedex 9, France. luigi.genovese@cea.fr
Abstract:
We present a method that gives highly accurate electrostatic potentials for systems where we have periodic boundary conditions in two spatial directions but free boundary conditions in the third direction. These boundary conditions are needed for all kinds of surface problems. Our method has an O(N log N) computational cost, where N is the number of grid points, with a very small prefactor. This Poisson solver is primarily intended for real space methods where the charge density and the potential are given on a uniform grid.
Keywords:
本文献已被 PubMed 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号