616 citations · 1.3k across the 6 of their papers we have counts for
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physics.atm-clus2013
Optical and magnetic excitations of metal-encapsulating Si cages: A systematic study by time-dependent density functional theory
Micael J. T. Oliveira, Paulo V. C. Medeiros, José R. F. Sousa +2
Systematic study of the optical and magnetic excitations of twelve MSi and four MSi transition metal encapsulating Si cages has been carried out by employing real tim…
cond-mat.mtrl-sci2013★ 135 cited
Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
David Waroquiers, Aurélien Lherbier, Anna Miglio +6
For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TB09) func…