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

doi:10.1002/pssb.200541463

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

Computer Science and Engineering

Research output: Contribution to journal › Article › peer-review

244 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 language	English (US)
Pages (from-to)	1063-1079
Number of pages	17
Journal	Physica Status Solidi (B) Basic Research
Volume	243
Issue number	5
DOIs	https://doi.org/10.1002/pssb.200541463
State	Published - Apr 2006

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title = "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.",

author = "Leeor Kronik and Adi Makmal and Tiago, {Murilo L.} and Alemany, {M. M.G.} and Manish Jain and Xiangyang Huang and Yousef Saad and Chelikowsky, {James R.}",

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AU - Makmal, Adi

AU - Tiago, Murilo L.

AU - Alemany, M. M.G.

AU - Jain, Manish

AU - Huang, Xiangyang

AU - Saad, Yousef

AU - Chelikowsky, James R.

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

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