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- Title
- On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations
- 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
- Files in This Item:
- There are no files associated with this item.
- Appears in Collections:
- 7. KISTI 연구성과 > 학술지 발표논문
