Journal
PHYSICAL REVIEW LETTERS
Volume 102, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.166406
Keywords
-
Categories
Funding
- NSF [OCI-0749217]
- DOE SciDAC [DE-FC02-06ER25794]
Ask authors/readers for more resources
We present a method to compute a hierarchical approximate representation of the solutions of the Kohn-Sham equations. The method is based on a recursive bisection algorithm and yields one-particle wave functions localized on subdomains of varying sizes. The accuracy of the representation is set a priori by specifying the highest acceptable error in 2-norm for any solution. Applications to large systems are used to illustrate the achievable reduction in data size. Implications for the development of linear-scaling methods and for the acceleration of conventional iterative methods are discussed.
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