Phys. Rev. B 47, 10891–10894 (1993)Density-matrix electronic-structure method with linear system-size scalingReceived 27 July 1992; published in the issue dated 15 April 1993 We introduce a method for the solution of the electronic-structure problem in the independent-electron approximation. The method is based upon a variational solution for the density matrix, which is truncated to zero beyond a real-space radius Rc, and becomes exact as Rc→∞. Most importantly, the computer time scales only linearly with system size. The method is tested in the context of tight-binding models in one and three dimensions. © 1993 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.47.10891
DOI:
10.1103/PhysRevB.47.10891
PACS:
71.10.+x, 61.50.Lt, 71.20.Ad, 71.25.Cx
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