New algebraic formulation of density functional calculation
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Publication:1578117
DOI10.1016/S0010-4655(00)00072-2zbMath1003.81036arXivcond-mat/9909130OpenAlexW2001923220MaRDI QIDQ1578117
Sohrab Ismail-Beigi, T. A. Arias
Publication date: 2000
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/cond-mat/9909130
ab initio methodscomputer languagesminimization algorithmsdistributed-memory supercomputer architectureshighly efficient computational kernelsleading-edge techniques
Quantum optics (81V80) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)
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