SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters
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Publication:1685671
DOI10.1016/j.cpc.2016.09.020zbMath1376.78001arXiv1603.04334OpenAlexW2299526617MaRDI QIDQ1685671
Swarnava Ghosh, Phanish Suryanarayana
Publication date: 19 December 2017
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1603.04334
parallel computingfinite-difference methodselectrostaticselectronic structureatomic forcesreal-space methods
Parallel numerical computation (65Y05) Many-body theory; quantum Hall effect (81V70) Electro- and magnetostatics (78A30)
Related Items (15)
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Uses Software
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