FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3098691623> ?p ?o ?g. }

• W3098691623 abstract "The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → −AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed." @default.
• W3098691623 created "2020-11-23" @default.
• W3098691623 creator A5015773220 @default.
• W3098691623 creator A5073014287 @default.
• W3098691623 creator A5082307304 @default.
• W3098691623 creator A5086555627 @default.
• W3098691623 date "2016-08-03" @default.
• W3098691623 modified "2023-10-01" @default.
• W3098691623 title "Locality of correlation in density functional theory" @default.
• W3098691623 cites W1782528578 @default.
• W3098691623 cites W1840376913 @default.
• W3098691623 cites W1941177718 @default.
• W3098691623 cites W1964734715 @default.
• W3098691623 cites W1978365214 @default.
• W3098691623 cites W1978607925 @default.
• W3098691623 cites W1979040280 @default.
• W3098691623 cites W1981368803 @default.
• W3098691623 cites W1983072950 @default.
• W3098691623 cites W1988099119 @default.
• W3098691623 cites W1990849018 @default.
• W3098691623 cites W1991790131 @default.
• W3098691623 cites W1995080413 @default.
• W3098691623 cites W2003193361 @default.
• W3098691623 cites W2007016642 @default.
• W3098691623 cites W2009448696 @default.
• W3098691623 cites W2009463278 @default.
• W3098691623 cites W2009867601 @default.
• W3098691623 cites W2010285095 @default.
• W3098691623 cites W2016168218 @default.
• W3098691623 cites W2017070764 @default.
• W3098691623 cites W2020797380 @default.
• W3098691623 cites W2022804778 @default.
• W3098691623 cites W2023271753 @default.
• W3098691623 cites W2026836479 @default.
• W3098691623 cites W2026907619 @default.
• W3098691623 cites W2030976617 @default.
• W3098691623 cites W2032068435 @default.
• W3098691623 cites W2032509385 @default.
• W3098691623 cites W2033339654 @default.
• W3098691623 cites W2033531291 @default.
• W3098691623 cites W2033807019 @default.
• W3098691623 cites W2036330668 @default.
• W3098691623 cites W2037107841 @default.
• W3098691623 cites W2038533471 @default.
• W3098691623 cites W2040647426 @default.
• W3098691623 cites W2042484823 @default.
• W3098691623 cites W2044399102 @default.
• W3098691623 cites W2045162020 @default.
• W3098691623 cites W2046097560 @default.
• W3098691623 cites W2046320515 @default.
• W3098691623 cites W2047026035 @default.
• W3098691623 cites W2047524879 @default.
• W3098691623 cites W2049079467 @default.
• W3098691623 cites W2051975173 @default.
• W3098691623 cites W2052599320 @default.
• W3098691623 cites W2054704030 @default.
• W3098691623 cites W2059629539 @default.
• W3098691623 cites W2062200709 @default.
• W3098691623 cites W2067804932 @default.
• W3098691623 cites W2068228867 @default.
• W3098691623 cites W2068920954 @default.
• W3098691623 cites W2069947597 @default.
• W3098691623 cites W2072429211 @default.
• W3098691623 cites W2072563185 @default.
• W3098691623 cites W2074640615 @default.
• W3098691623 cites W2074983051 @default.
• W3098691623 cites W2076894324 @default.
• W3098691623 cites W2079343828 @default.
• W3098691623 cites W2079843014 @default.
• W3098691623 cites W2086322170 @default.
• W3098691623 cites W2086957099 @default.
• W3098691623 cites W2088136647 @default.
• W3098691623 cites W2088370223 @default.
• W3098691623 cites W2088373337 @default.
• W3098691623 cites W2088380112 @default.
• W3098691623 cites W2108380821 @default.
• W3098691623 cites W2121082168 @default.
• W3098691623 cites W2143981217 @default.
• W3098691623 cites W2146747898 @default.
• W3098691623 cites W2151133474 @default.
• W3098691623 cites W2152702506 @default.
• W3098691623 cites W2230728100 @default.
• W3098691623 cites W2283907593 @default.
• W3098691623 cites W2292646695 @default.
• W3098691623 cites W2320381313 @default.
• W3098691623 cites W2323317872 @default.
• W3098691623 cites W2963657244 @default.
• W3098691623 cites W3102086547 @default.
• W3098691623 cites W3106032808 @default.
• W3098691623 cites W3206606417 @default.
• W3098691623 cites W4239948453 @default.
• W3098691623 cites W4244303455 @default.
• W3098691623 cites W4377077024 @default.
• W3098691623 doi "https://doi.org/10.1063/1.4959126" @default.
• W3098691623 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27497544" @default.
• W3098691623 hasPublicationYear "2016" @default.
• W3098691623 type Work @default.
• W3098691623 sameAs 3098691623 @default.
• W3098691623 citedByCount "34" @default.
• W3098691623 countsByYear W30986916232016 @default.

• next