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) 243, 1063-1079 (2006).
Date
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