Keceli M., Zhang H., Zapol P., Dixon D. A., Wagner A.F. - Shift-and-invert parallel spectral transformation eigensolver: massively parallel performance for density-functional based tight-binding. // Journal of Computational Chemistry. 2016. V. 37. N. 4. P. 448-459.
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http://dx.doi.org/10.1002/jcc.24254