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공공누리This item is licensed Korea Open Government License

Title
On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations
Author(s)
최성환류훈김우연염민선
Publication Year
2018-03-09
Abstract
첨부된 Manuscript 원문 참조 (게재 URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.25622/abstract;jsessionid=4AC6CF13AFBF2D351FE45BC63C3040C5.f01t02)
Keyword
degenerate eigenpairs; density functional theory; high performance computing; Lanczos iterations; large-scale electronic structures
Journal Title
International Journal of Quantum Chemistry
ISSN
0020-7608
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Appears in Collections:
7. KISTI 연구성과 > 학술지 발표논문
URI
https://repository.kisti.re.kr/handle/10580/14736
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