DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Jaewook | ko |
dc.contributor.author | Kang, Sungwoo | ko |
dc.contributor.author | Lim, Jaechang | ko |
dc.contributor.author | Hwang, Sang-Yeon | ko |
dc.contributor.author | Kim, Woo Youn | ko |
dc.date.accessioned | 2018-08-20T06:48:05Z | - |
dc.date.available | 2018-08-20T06:48:05Z | - |
dc.date.created | 2018-07-25 | - |
dc.date.created | 2018-07-25 | - |
dc.date.issued | 2018-09 | - |
dc.identifier.citation | COMPUTER PHYSICS COMMUNICATIONS, v.230, pp.21 - 26 | - |
dc.identifier.issn | 0010-4655 | - |
dc.identifier.uri | http://hdl.handle.net/10203/244649 | - |
dc.description.abstract | Real-space methods have not been suitable for hybrid density functional calculations due to high cost coming from the nonlocality of Fock operator. Here we propose a practical approach for fast computation. The key is to use a strictly local Kohn-Sham potential that can be deduced from any hybrid functional using the optimized effective potential method. This new approach improved the computation speed of the global and range-separated hybrid methods up to 30 and 80 times, respectively. As a result, accurate prediction of the size-dependent excitonic spectra of Si quantum dots became feasible. (C) 2018 Elsevier B.V. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.title | Kohn-Sham approach for fast hybrid density functional calculations in real-space numerical grid methods | - |
dc.type | Article | - |
dc.identifier.wosid | 000437380000003 | - |
dc.identifier.scopusid | 2-s2.0-85046742251 | - |
dc.type.rims | ART | - |
dc.citation.volume | 230 | - |
dc.citation.beginningpage | 21 | - |
dc.citation.endingpage | 26 | - |
dc.citation.publicationname | COMPUTER PHYSICS COMMUNICATIONS | - |
dc.identifier.doi | 10.1016/j.cpc.2018.04.010 | - |
dc.contributor.localauthor | Kim, Woo Youn | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
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