PARSEC - The pseudopotential algorithm for real-space electronic structure calculations: Recent advances and novel applications to nano-structures

Leeor Kronik, Adi Makmal, Murilo L. Tiago, M. M.G. Alemany, Manish Jain, Xiangyang Huang, Yousef Saad, James R. Chelikowsky

Research output: Contribution to journalArticlepeer-review

219 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)1063-1079
Number of pages17
JournalPhysica Status Solidi (B) Basic Research
Volume243
Issue number5
DOIs
StatePublished - Apr 1 2006

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