Recent progress in linear scaling ab initio electronic structure techniques
Abstract
We describe recent progress in developing linear scaling ab initio electronic structure methods, referring in particular to our highly parallel code CONQUEST. After reviewing the state of the field, we present the basic ideas underlying almost all linear scaling methods, and discuss specific practical details of the implementation. We also note the connection between linear scaling methods and embedding techniques.
- Publication:
-
Journal of Physics Condensed Matter
- Pub Date:
- March 2002
- DOI:
- 10.1088/0953-8984/14/11/303
- Bibcode:
- 2002JPCM...14.2781B