Matches in SemOpenAlex for { <https://semopenalex.org/work/W2892948571> ?p ?o ?g. }
- W2892948571 endingPage "e00348" @default.
- W2892948571 startingPage "e00348" @default.
- W2892948571 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 time-dependent Kohn-Sham equations including nonlocal exchange is considered in prototypical solid-state materials such as bulk Si, LiF and monolayer hexagonal-BN. Additionally core excitations in monolayer hexagonal-BN at the B and N K-edges are investigated and the role of long-range and short-range nonlocal exchange in capturing valence and core excitonic effects is discussed. Results obtained using this time-domain atomic orbital basis set framework are shown to be consistent with equivalent frequency-domain planewave results in the literature. The developments discussed lead to a time-domain generalized Kohn-Sham TDDFT implementation for the treatment of core and valence electron dynamics and light-matter interaction in periodic solid-state systems." @default.
- W2892948571 created "2018-10-05" @default.
- W2892948571 creator A5015965276 @default.
- W2892948571 date "2019-03-01" @default.
- W2892948571 modified "2023-09-27" @default.
- W2892948571 title "Valence and core excitons in solids from velocity-gauge real-time TDDFT with range-separated hybrid functionals: An LCAO approach" @default.
- W2892948571 cites W1517708868 @default.
- W2892948571 cites W1561273442 @default.
- W2892948571 cites W1964291492 @default.
- W2892948571 cites W1967866204 @default.
- W2892948571 cites W1967960518 @default.
- W2892948571 cites W1970127494 @default.
- W2892948571 cites W1971324236 @default.
- W2892948571 cites W1972356485 @default.
- W2892948571 cites W1972847143 @default.
- W2892948571 cites W1974943505 @default.
- W2892948571 cites W1977301423 @default.
- W2892948571 cites W1979195253 @default.
- W2892948571 cites W1979287145 @default.
- W2892948571 cites W1982253049 @default.
- W2892948571 cites W1982595935 @default.
- W2892948571 cites W1994599264 @default.
- W2892948571 cites W1994880295 @default.
- W2892948571 cites W1998907352 @default.
- W2892948571 cites W2000021780 @default.
- W2892948571 cites W2004117188 @default.
- W2892948571 cites W2012770854 @default.
- W2892948571 cites W2014094922 @default.
- W2892948571 cites W2020263377 @default.
- W2892948571 cites W2021616851 @default.
- W2892948571 cites W2022970249 @default.
- W2892948571 cites W2030761953 @default.
- W2892948571 cites W2030976617 @default.
- W2892948571 cites W2039488279 @default.
- W2892948571 cites W2045596260 @default.
- W2892948571 cites W2050155864 @default.
- W2892948571 cites W2052637367 @default.
- W2892948571 cites W2054817900 @default.
- W2892948571 cites W2058398316 @default.
- W2892948571 cites W2058959279 @default.
- W2892948571 cites W2065232702 @default.
- W2892948571 cites W2066257456 @default.
- W2892948571 cites W2079560921 @default.
- W2892948571 cites W2079618450 @default.
- W2892948571 cites W2080849864 @default.
- W2892948571 cites W2081554434 @default.
- W2892948571 cites W2082101549 @default.
- W2892948571 cites W2083222334 @default.
- W2892948571 cites W2085093563 @default.
- W2892948571 cites W2086781268 @default.
- W2892948571 cites W2086867887 @default.
- W2892948571 cites W2087585288 @default.
- W2892948571 cites W2098658310 @default.
- W2892948571 cites W2121817924 @default.
- W2892948571 cites W2139168187 @default.
- W2892948571 cites W2141704677 @default.
- W2892948571 cites W2150345533 @default.
- W2892948571 cites W2156561529 @default.
- W2892948571 cites W2157640058 @default.
- W2892948571 cites W2161365734 @default.
- W2892948571 cites W2167657634 @default.
- W2892948571 cites W2168299072 @default.
- W2892948571 cites W2230728100 @default.
- W2892948571 cites W2270536778 @default.
- W2892948571 cites W2335844034 @default.
- W2892948571 cites W2337565479 @default.
- W2892948571 cites W2343197521 @default.
- W2892948571 cites W2435312959 @default.
- W2892948571 cites W2507946536 @default.
- W2892948571 cites W2575211403 @default.
- W2892948571 cites W2604515236 @default.
- W2892948571 cites W2620134317 @default.
- W2892948571 cites W2750370431 @default.
- W2892948571 cites W2756236886 @default.
- W2892948571 cites W2766333403 @default.
- W2892948571 cites W2769331892 @default.
- W2892948571 cites W2798820977 @default.
- W2892948571 cites W2809973935 @default.
- W2892948571 cites W2883769739 @default.
- W2892948571 cites W2962827485 @default.
- W2892948571 cites W3098889450 @default.
- W2892948571 doi "https://doi.org/10.1016/j.cocom.2018.e00348" @default.
- W2892948571 hasPublicationYear "2019" @default.
- W2892948571 type Work @default.
- W2892948571 sameAs 2892948571 @default.
- W2892948571 citedByCount "16" @default.
- W2892948571 countsByYear W28929485712019 @default.
- W2892948571 countsByYear W28929485712020 @default.
- W2892948571 countsByYear W28929485712021 @default.
- W2892948571 countsByYear W28929485712022 @default.
- W2892948571 countsByYear W28929485712023 @default.
- W2892948571 crossrefType "journal-article" @default.
- W2892948571 hasAuthorship W2892948571A5015965276 @default.
- W2892948571 hasBestOaLocation W28929485711 @default.
- W2892948571 hasConcept C103824480 @default.
- W2892948571 hasConcept C121332964 @default.
- W2892948571 hasConcept C147120987 @default.
- W2892948571 hasConcept C152365726 @default.