Ghasemi, S. Alireza and Neelov, Alexey and Goedecker, Stefan. (2007) A particleparticle, particledensity algorithm for the calculation of electrostatic interactions of particles with slablike geometry. Journal of Chemical Physics, 127 (22). p. 224102.
Full text not available from this repository.
Official URL: https://edoc.unibas.ch/73841/
Downloads: Statistics Overview
Abstract
We present a fast and accurate method to calculate the electrostatic energy and forces of interacting particles with the boundary conditions appropriate to surfaces, i.e., periodic in the two directions parallel to the surface and free in the perpendicular direction. In the spirit of the Ewald method, the problem is divided into a short range and a long range part. The charge density responsible for the long range part is represented by plane waves in the periodic directions and by finite elements in the nonperiodic direction. Our method has computational complexity of O(N(g) log(N(g))) with a very small prefactor, where N(g) is the number of grid points.
Faculties and Departments:  05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker) 

UniBasel Contributors:  Goedecker, Stefan 
Item Type:  Article, refereed 
Article Subtype:  Research Article 
Publisher:  AIP Publishing 
ISSN:  00219606 
eISSN:  10897690 
Note:  Publication type according to Uni Basel Research Database: Journal article 
Identification Number: 

Last Modified:  22 Apr 2020 07:58 
Deposited On:  22 Apr 2020 07:58 
Repository Staff Only: item control page