PARSEC – the pseudopotential algorithm for real‐space electronic structure calculations: recent advances and novel applications to nano‐structures
- 24 March 2006
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 243 (5) , 1063-1079
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.Keywords
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