FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1571182676> ?p ?o ?g. }

• W1571182676 abstract "A subspace formulation of time-dependent density functional theory (TDDFT) is proposed for large-scale calculations based on density functional perturbation theory. The formulation is implemented in conjunction with projector augmented-wave method and plane-wave basis set. A key bottleneck of conventional TDDFT method is circumvented by projecting the time-dependent Kohn-Sham eigenvalue equations from a full Hilbert space to a substantially reduced sub-Hilbert space. As a result, both excitation energies and ionic forces can be calculated accurately within the reduced subspace. The method is validated for several model systems and exhibits the similar accuracy as the conventional TDDFT method but at a computational cost of the ground state calculation. The Born-Oppenheimer molecular dynamics can be successfully performed for excited states in C60 and T12 molecules, opening doors for many applications involving excited state dynamics." @default.
• W1571182676 created "2016-06-24" @default.
• W1571182676 creator A5018079849 @default.
• W1571182676 creator A5088993170 @default.
• W1571182676 date "2015-08-14" @default.
• W1571182676 modified "2023-09-30" @default.
• W1571182676 title "Subspace formulation of time-dependent density functional theory for large-scale calculations" @default.
• W1571182676 cites W1483870578 @default.
• W1571182676 cites W1550186202 @default.
• W1571182676 cites W1861601245 @default.
• W1571182676 cites W1970127494 @default.
• W1571182676 cites W1977693316 @default.
• W1571182676 cites W1979544533 @default.
• W1571182676 cites W1980531579 @default.
• W1571182676 cites W1996943850 @default.
• W1571182676 cites W2002070885 @default.
• W1571182676 cites W2009018767 @default.
• W1571182676 cites W2009057700 @default.
• W1571182676 cites W2016200515 @default.
• W1571182676 cites W2021066194 @default.
• W1571182676 cites W2025619958 @default.
• W1571182676 cites W2040053236 @default.
• W1571182676 cites W2049766646 @default.
• W1571182676 cites W2052637367 @default.
• W1571182676 cites W2056967289 @default.
• W1571182676 cites W2058398316 @default.
• W1571182676 cites W2062006108 @default.
• W1571182676 cites W2063663126 @default.
• W1571182676 cites W2066082473 @default.
• W1571182676 cites W2066556212 @default.
• W1571182676 cites W2068228867 @default.
• W1571182676 cites W2068920655 @default.
• W1571182676 cites W2070235865 @default.
• W1571182676 cites W2076102662 @default.
• W1571182676 cites W2079105963 @default.
• W1571182676 cites W2082974223 @default.
• W1571182676 cites W2083222334 @default.
• W1571182676 cites W2087585288 @default.
• W1571182676 cites W2090491384 @default.
• W1571182676 cites W2118875032 @default.
• W1571182676 cites W2126140700 @default.
• W1571182676 cites W2139168187 @default.
• W1571182676 cites W2145689956 @default.
• W1571182676 cites W2146303374 @default.
• W1571182676 cites W2173812745 @default.
• W1571182676 cites W2314860728 @default.
• W1571182676 cites W2316060895 @default.
• W1571182676 cites W2324213451 @default.
• W1571182676 cites W3098029049 @default.
• W1571182676 cites W3100644727 @default.
• W1571182676 cites W4230608236 @default.
• W1571182676 doi "https://doi.org/10.1063/1.4928510" @default.
• W1571182676 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26277130" @default.
• W1571182676 hasPublicationYear "2015" @default.
• W1571182676 type Work @default.
• W1571182676 sameAs 1571182676 @default.
• W1571182676 citedByCount "23" @default.
• W1571182676 countsByYear W15711826762016 @default.
• W1571182676 countsByYear W15711826762018 @default.
• W1571182676 countsByYear W15711826762019 @default.
• W1571182676 countsByYear W15711826762020 @default.
• W1571182676 countsByYear W15711826762021 @default.
• W1571182676 countsByYear W15711826762022 @default.
• W1571182676 countsByYear W15711826762023 @default.
• W1571182676 crossrefType "journal-article" @default.
• W1571182676 hasAuthorship W1571182676A5018079849 @default.
• W1571182676 hasAuthorship W1571182676A5088993170 @default.
• W1571182676 hasBestOaLocation W15711826762 @default.
• W1571182676 hasConcept C11413529 @default.
• W1571182676 hasConcept C120665830 @default.
• W1571182676 hasConcept C121332964 @default.
• W1571182676 hasConcept C121864883 @default.
• W1571182676 hasConcept C134306372 @default.
• W1571182676 hasConcept C147060835 @default.
• W1571182676 hasConcept C152365726 @default.
• W1571182676 hasConcept C158693339 @default.
• W1571182676 hasConcept C159694833 @default.
• W1571182676 hasConcept C181500209 @default.
• W1571182676 hasConcept C20853536 @default.
• W1571182676 hasConcept C2776865275 @default.
• W1571182676 hasConcept C30475298 @default.
• W1571182676 hasConcept C32834561 @default.
• W1571182676 hasConcept C33923547 @default.
• W1571182676 hasConcept C56911000 @default.
• W1571182676 hasConcept C62520636 @default.
• W1571182676 hasConcept C62799726 @default.
• W1571182676 hasConcept C84114770 @default.
• W1571182676 hasConceptScore W1571182676C11413529 @default.
• W1571182676 hasConceptScore W1571182676C120665830 @default.
• W1571182676 hasConceptScore W1571182676C121332964 @default.
• W1571182676 hasConceptScore W1571182676C121864883 @default.
• W1571182676 hasConceptScore W1571182676C134306372 @default.
• W1571182676 hasConceptScore W1571182676C147060835 @default.
• W1571182676 hasConceptScore W1571182676C152365726 @default.
• W1571182676 hasConceptScore W1571182676C158693339 @default.
• W1571182676 hasConceptScore W1571182676C159694833 @default.
• W1571182676 hasConceptScore W1571182676C181500209 @default.
• W1571182676 hasConceptScore W1571182676C20853536 @default.
• W1571182676 hasConceptScore W1571182676C2776865275 @default.
• W1571182676 hasConceptScore W1571182676C30475298 @default.

• next