Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets

URN to cite this document:: urn:nbn:de:bvb:355-epub-458336
DOI to cite this document:: 10.5283/epub.45833

Wilhelm, Jan ; Seewald, Patrick ; Golze, Dorothea

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Date of publication of this fulltext: 21 May 2021 04:49

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Abstract

GW is an accurate method for computing electron addition and removal energies of molecules and solids. In a conventional GW implementation, however, its computational cost is O(N4) in the system size N, which prohibits its application to many systems of interest. We present a low-scaling GW algorithm with notably improved accuracy compared to our previous algorithm [J. Phys. Chem. Lett.2018, 9, ...