FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000783917> ?p ?o ?g. }

• W2000783917 abstract "A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na9+ and Na65+ clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT." @default.
• W2000783917 created "2016-06-24" @default.
• W2000783917 creator A5036089806 @default.
• W2000783917 creator A5039848293 @default.
• W2000783917 creator A5064071670 @default.
• W2000783917 creator A5073568638 @default.
• W2000783917 creator A5088993170 @default.
• W2000783917 date "2011-04-08" @default.
• W2000783917 modified "2023-10-16" @default.
• W2000783917 title "Dynamic kinetic energy potential for orbital-free density functional theory" @default.
• W2000783917 cites W1964580694 @default.
• W2000783917 cites W1966256603 @default.
• W2000783917 cites W1969666707 @default.
• W2000783917 cites W1974851692 @default.
• W2000783917 cites W1979402863 @default.
• W2000783917 cites W1983737828 @default.
• W2000783917 cites W1986556385 @default.
• W2000783917 cites W1988835899 @default.
• W2000783917 cites W2001546928 @default.
• W2000783917 cites W2001688828 @default.
• W2000783917 cites W2001776153 @default.
• W2000783917 cites W2009009973 @default.
• W2000783917 cites W2024329825 @default.
• W2000783917 cites W2024790791 @default.
• W2000783917 cites W2025158009 @default.
• W2000783917 cites W2026804484 @default.
• W2000783917 cites W2026838969 @default.
• W2000783917 cites W2034277791 @default.
• W2000783917 cites W2035431566 @default.
• W2000783917 cites W2037663519 @default.
• W2000783917 cites W2041654606 @default.
• W2000783917 cites W2045774021 @default.
• W2000783917 cites W2047742708 @default.
• W2000783917 cites W2057858565 @default.
• W2000783917 cites W2058398316 @default.
• W2000783917 cites W2060471040 @default.
• W2000783917 cites W2061556119 @default.
• W2000783917 cites W2064888391 @default.
• W2000783917 cites W2077125180 @default.
• W2000783917 cites W2081000983 @default.
• W2000783917 cites W2083451814 @default.
• W2000783917 cites W2094045530 @default.
• W2000783917 cites W2095808263 @default.
• W2000783917 cites W2110698278 @default.
• W2000783917 cites W2144174730 @default.
• W2000783917 cites W2154683457 @default.
• W2000783917 cites W3100803645 @default.
• W2000783917 cites W4236321906 @default.
• W2000783917 doi "https://doi.org/10.1063/1.3574347" @default.
• W2000783917 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21495736" @default.
• W2000783917 hasPublicationYear "2011" @default.
• W2000783917 type Work @default.
• W2000783917 sameAs 2000783917 @default.
• W2000783917 citedByCount "26" @default.
• W2000783917 countsByYear W20007839172012 @default.
• W2000783917 countsByYear W20007839172014 @default.
• W2000783917 countsByYear W20007839172015 @default.
• W2000783917 countsByYear W20007839172016 @default.
• W2000783917 countsByYear W20007839172017 @default.
• W2000783917 countsByYear W20007839172018 @default.
• W2000783917 countsByYear W20007839172019 @default.
• W2000783917 countsByYear W20007839172020 @default.
• W2000783917 countsByYear W20007839172021 @default.
• W2000783917 countsByYear W20007839172022 @default.
• W2000783917 countsByYear W20007839172023 @default.
• W2000783917 crossrefType "journal-article" @default.
• W2000783917 hasAuthorship W2000783917A5036089806 @default.
• W2000783917 hasAuthorship W2000783917A5039848293 @default.
• W2000783917 hasAuthorship W2000783917A5064071670 @default.
• W2000783917 hasAuthorship W2000783917A5073568638 @default.
• W2000783917 hasAuthorship W2000783917A5088993170 @default.
• W2000783917 hasBestOaLocation W20007839172 @default.
• W2000783917 hasConcept C104970782 @default.
• W2000783917 hasConcept C111472728 @default.
• W2000783917 hasConcept C119857082 @default.
• W2000783917 hasConcept C121332964 @default.
• W2000783917 hasConcept C121864883 @default.
• W2000783917 hasConcept C135889238 @default.
• W2000783917 hasConcept C138885662 @default.
• W2000783917 hasConcept C14036430 @default.
• W2000783917 hasConcept C14323908 @default.
• W2000783917 hasConcept C147120987 @default.
• W2000783917 hasConcept C152365726 @default.
• W2000783917 hasConcept C154945302 @default.
• W2000783917 hasConcept C159985019 @default.
• W2000783917 hasConcept C189394030 @default.
• W2000783917 hasConcept C192562407 @default.
• W2000783917 hasConcept C204323151 @default.
• W2000783917 hasConcept C20853536 @default.
• W2000783917 hasConcept C2780586882 @default.
• W2000783917 hasConcept C41008148 @default.
• W2000783917 hasConcept C41608201 @default.
• W2000783917 hasConcept C45347329 @default.
• W2000783917 hasConcept C50644808 @default.
• W2000783917 hasConcept C62520636 @default.
• W2000783917 hasConcept C74650414 @default.
• W2000783917 hasConcept C78458016 @default.
• W2000783917 hasConcept C86803240 @default.
• W2000783917 hasConceptScore W2000783917C104970782 @default.
• W2000783917 hasConceptScore W2000783917C111472728 @default.

• next