Abstract
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 , and becomes exact as →∞. 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.
- Received 27 July 1992
DOI:https://doi.org/10.1103/PhysRevB.47.10891
©1993 American Physical Society