PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
Abstract
We describe the formalism, as well as numerical and implementation issues behind PARSEC - the pseudopotential algorithm for real-space electronic structure calculations. Its current capabilities are illustrated via application of PARSEC to numerous problems in nanoscience.
- Publication:
-
Physica Status Solidi B Basic Research
- Pub Date:
- 2006
- DOI:
- 10.1002/pssb.200541463
- Bibcode:
- 2006PSSBR.243.1063K