DC Field | Value | Language |
---|---|---|
dc.contributor.author | Jin, YG | ko |
dc.contributor.author | Jeong, JW | ko |
dc.contributor.author | Chang, Kee-Joo | ko |
dc.date.accessioned | 2013-03-03T01:31:03Z | - |
dc.date.available | 2013-03-03T01:31:03Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 1999-12 | - |
dc.identifier.citation | PHYSICA B-CONDENSED MATTER, v.273-4, pp.1003 - 1006 | - |
dc.identifier.issn | 0921-4526 | - |
dc.identifier.uri | http://hdl.handle.net/10203/76500 | - |
dc.description.abstract | We present an efficient real-space multigrid method for first-principles electronic structure calculations, based on the pseudopotential method within the local-density-functional approximation. The Poisson and Kohn-Sham equations are accurately discretized by a higher-order finite difference method, and solved efficiently by a multigrid technique, which uses different relaxations for different sets of real-space grids. Testing various systems, we find the convergence to be nearly independent of the number of real-space grids. We demonstrate that our method is very useful for charged clusters and defects in localized bulk systems. (C) 1999 Elsevier Science B.V. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.subject | DIFFERENCE-PSEUDOPOTENTIAL METHOD | - |
dc.subject | ADAPTIVE-COORDINATE | - |
dc.subject | NATIVE DEFECTS | - |
dc.subject | GAN | - |
dc.subject | MOLECULES | - |
dc.title | Real-space electronic structure calculations of charged clusters and defects in semiconductors using a multigrid method | - |
dc.type | Article | - |
dc.identifier.wosid | 000084452200238 | - |
dc.identifier.scopusid | 2-s2.0-0033340353 | - |
dc.type.rims | ART | - |
dc.citation.volume | 273-4 | - |
dc.citation.beginningpage | 1003 | - |
dc.citation.endingpage | 1006 | - |
dc.citation.publicationname | PHYSICA B-CONDENSED MATTER | - |
dc.contributor.localauthor | Chang, Kee-Joo | - |
dc.contributor.nonIdAuthor | Jin, YG | - |
dc.contributor.nonIdAuthor | Jeong, JW | - |
dc.type.journalArticle | Article; Proceedings Paper | - |
dc.subject.keywordAuthor | multigrid | - |
dc.subject.keywordAuthor | real space | - |
dc.subject.keywordAuthor | cluster | - |
dc.subject.keywordAuthor | defect | - |
dc.subject.keywordPlus | DIFFERENCE-PSEUDOPOTENTIAL METHOD | - |
dc.subject.keywordPlus | ADAPTIVE-COORDINATE | - |
dc.subject.keywordPlus | NATIVE DEFECTS | - |
dc.subject.keywordPlus | GAN | - |
dc.subject.keywordPlus | MOLECULES | - |
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