A reduced basis approach for calculation of the Bethe–Salpeter excitation energies by using low-rank tensor factorisations*

@article{Benner2016ARB,
  title={A reduced basis approach for calculation of the Bethe–Salpeter excitation energies by using low-rank tensor factorisations*},
  author={Peter Benner and Venera Khoromskaia and Boris N. Khoromskij},
  journal={Molecular Physics},
  year={2016},
  volume={114},
  pages={1148 - 1161}
}
ABSTRACT The Bethe–Salpeter equation (BSE) is a reliable model for estimating the absorption spectra in molecules and solids on the basis of accurate calculation of the excited states from first principles. Direct diagonalisation of the BSE matrix is practically intractable due to O(N6) complexity scaling in the size of the atomic orbital basis set, N. In this paper, we introduce and analyse a reduced basis approach to computation of the Bethe–Salpeter excitation energies which can lead to a… Expand
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