## Abstract

We present a new method for the computation of self-energy corrections in large supercells. It eliminates the explicit summation over unoccupied states, and uses an iterative scheme based on an expansion of the Green's function around a set of reference energies. This improves the scaling of the computational time from the fourth to the third power of the number of atoms for both the inverse dielectric matrix and the self-energy, yielding improved efficiency for 8 or more silicon atoms per unit cell.

Original language | English |
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Pages (from-to) | R4301-R4304 |

Journal | Physical Review B |

Volume | 56 |

Issue number | 8 |

DOIs | |

Publication status | Published - 15 Aug 1997 |