Valence and core excitons in solids from velocity-gauge real-time TDDFT with range-separated hybrid functionals: An LCAO approach
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2018.e00348
Abstract: Abstract An atomic-orbital basis set framework is presented for carrying out velocity-gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical response obtained from real-time propagation of the… read more here.
Keywords: time; valence; real time; core ... See more keywords
Even-order high-harmonic generation from solids in velocity gauge
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Optics Letters"
DOI: 10.3788/col202119.043201
Abstract: We present a velocity-gauge model for the generation of even-order high harmonics, and reveal that the even-order harmonics originate from the multiple-step transitions among the energy bands in momentum space, while the odd-order harmonics are… read more here.
Keywords: generation; order; harmonics; order high ... See more keywords