Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c01282
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… read more here.
Keywords: scaling benchmark; accuracy; phosphorene nanosheets; benchmark accuracy ... See more keywords