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

266 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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10.1002/pssb.200541463

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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.\}",

year = "2006",

month = apr,

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journal = "Physica Status Solidi (B) Basic Research",

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T1 - PARSEC - The pseudopotential algorithm for real-space electronic structure calculations

T2 - Recent advances and novel applications to nano-structures

AU - Kronik, Leeor

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.

PY - 2006/4

Y1 - 2006/4

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/33646134373

UR - https://www.scopus.com/pages/publications/33646134373#tab=citedBy

U2 - 10.1002/pssb.200541463

DO - 10.1002/pssb.200541463

M3 - Article

AN - SCOPUS:33646134373

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EP - 1079

JO - Physica Status Solidi (B) Basic Research

JF - Physica Status Solidi (B) Basic Research

IS - 5

ER -

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

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