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

264 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
Pages (from-to)1063-1079
Number of pages17
JournalPhysica Status Solidi (B): Basic Research
Volume243
Issue number5
DOIs
StatePublished - Apr 2006
Externally publishedYes

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