Minimizing the Kohn-Sham total energy for periodic systems
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Publication:413524
DOI10.1016/j.laa.2011.07.024zbMath1241.82014MaRDI QIDQ413524
Publication date: 7 May 2012
Published in: Linear Algebra and its Applications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.laa.2011.07.024
eigenvalues; discrete Fourier transform; periodic system; circulant matrices; constrained minimization; Bloch theorem; Kohn-Sham equations
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