Bulletin of the American Physical Society
APS March Meeting 2019
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session C31: DFT, Embedding, and, Beyond (ES1)
2:30 PM–4:54 PM,
Monday, March 4, 2019
BCEC Room: 203
Sponsoring Unit: DCP
Chair: Timothy Berkelbach, University of Chicago
Abstract: C31.00008 : A finite-field approach to performing GW calculations and solving the Bethe-Salpeter equation
4:18 PM–4:54 PM
allows for efficient G0W0 and G0W0Γ calculations as well as for the calculation of optical spectra beyond the random phase approximation.
In addition it utilizes localized orbitals obtained from Bloch states with bisection techniques, thus greatly reducing the complexity of the calculation and enabling the efficient use of hybrid functionals to compute input orbitals, when using a plane-wave representation.
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