Efficient first-principles calculations of the electronic structure of periodic systems
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Publication:710174
DOI10.1016/j.cpc.2007.04.003zbMath1196.82126OpenAlexW2146363351WikidataQ126276658 ScholiaQ126276658MaRDI QIDQ710174
Manish Jain, Yunkai Zhou, M. M. G. Alemany, James R. Chelikowsky, Murilo L. Tiago, Yousef Saad
Publication date: 18 October 2010
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2007.04.003
density-functional theoryelectronic structureiterative diagonalizationpseudopotentialsreal-space method
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