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cond-mat.mtrl-sci2021
Double -Grid Method for Solving the Bethe-Salpeter Equation via Lanczos Approaches
Ignacio M. Alliati, Davide Sangalli, Myrta Grüning
Convergence with respect to the size of the k-points sampling-grid of the Brillouin zone is the main bottleneck in the calculation of optical spectra of periodic crystals via the B…
cond-mat.mtrl-sci2021★ 31 cited
Optical response and band structure of LiCoO2 including electron-hole interaction effects
Santosh Kumar Radha, Walter R. L. Lambrecht, Brian Cunningham +3
The optical response functions and band structures of LiCoO are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient a…