Journal
CHEMICAL PHYSICS LETTERS
Volume 500, Issue 1-3, Pages 178-183Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2010.10.010
Keywords
-
Funding
- Rhodes Trust
Ask authors/readers for more resources
It is shown that standard three- and two-dimensional Ewald summation of point charge electrostatics is naturally extended to Gaussian charge distributions. The Gaussian nature of the charges does not affect the regularisation of the conditionally convergent sums, which are performed with spherical and cylindrical orderings, respectively. A clear connection is made between the summation of Gaussian charges and the summation of the associated point charge system. The application of these sums to a simple classical model of a metal surface is discussed. Calculations on a conducting sphere highlight the importance of the model parameterisation. (C) 2010 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available