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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00686
Abstract: We apply the renormalized singles (RS) Green's function in the Bethe-Salpeter equation (BSE)/GW approach to predict accurate neutral excitation energies of molecular systems. The BSE calculations are performed on top of the GRSWRS method, which…
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Keywords:
bse grswrs;
excitation;
renormalized singles;
excitation energies ... See more keywords