Matches in SemOpenAlex for { <https://semopenalex.org/work/W289455781> ?p ?o ?g. }
Showing items 1 to 92 of
92
with 100 items per page.
- W289455781 abstract "Density Functional Theory (DFT) is one of the most widely used methods for “ab initio” calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. A brief undergraduate–level introduction to DFT is presented here — an alternative to the customary introduction, which is often considered too lengthy to be included in various curricula. The central theme of DFT, i.e. the notion that it is possible and beneficial to replace the dependence on the external potential v(r) by a dependence on the density distribution n(r), is considered here to be a generalization of the idea of switching between different independent variables in thermodynamics. Specifically, it is a direct extension of the familiar Legendre transform from the chemical potential μ to the number of particles N . This is used to obtain the Hohenberg–Kohn theorem and to derive the Kohn–Sham equations. The exchange–correlation energy and the local density approximation to it are then discussed, followed by a very brief survey of various applications and extensions." @default.
- W289455781 created "2016-06-24" @default.
- W289455781 creator A5038961326 @default.
- W289455781 creator A5062901556 @default.
- W289455781 date "1998-06-22" @default.
- W289455781 modified "2023-09-25" @default.
- W289455781 title "Density Functional Theory : a brief introduction" @default.
- W289455781 cites W107188161 @default.
- W289455781 cites W1550061415 @default.
- W289455781 cites W1970976729 @default.
- W289455781 cites W1971755381 @default.
- W289455781 cites W1985519947 @default.
- W289455781 cites W1987032264 @default.
- W289455781 cites W1998866028 @default.
- W289455781 cites W2008041424 @default.
- W289455781 cites W2018187903 @default.
- W289455781 cites W2030976617 @default.
- W289455781 cites W2038533471 @default.
- W289455781 cites W2040749958 @default.
- W289455781 cites W2046001409 @default.
- W289455781 cites W2046762537 @default.
- W289455781 cites W2050729144 @default.
- W289455781 cites W2057073844 @default.
- W289455781 cites W2065094425 @default.
- W289455781 cites W2076751112 @default.
- W289455781 cites W2086458318 @default.
- W289455781 cites W2088380112 @default.
- W289455781 cites W2090135568 @default.
- W289455781 cites W2092425935 @default.
- W289455781 cites W2095238076 @default.
- W289455781 cites W2095561023 @default.
- W289455781 cites W2098432400 @default.
- W289455781 cites W2126876245 @default.
- W289455781 cites W2143981217 @default.
- W289455781 cites W2151937124 @default.
- W289455781 cites W2153385697 @default.
- W289455781 cites W2230728100 @default.
- W289455781 hasPublicationYear "1998" @default.
- W289455781 type Work @default.
- W289455781 sameAs 289455781 @default.
- W289455781 citedByCount "3" @default.
- W289455781 countsByYear W2894557812012 @default.
- W289455781 crossrefType "journal-article" @default.
- W289455781 hasAuthorship W289455781A5038961326 @default.
- W289455781 hasAuthorship W289455781A5062901556 @default.
- W289455781 hasConcept C104970782 @default.
- W289455781 hasConcept C111458787 @default.
- W289455781 hasConcept C116594300 @default.
- W289455781 hasConcept C121332964 @default.
- W289455781 hasConcept C121864883 @default.
- W289455781 hasConcept C134306372 @default.
- W289455781 hasConcept C152365726 @default.
- W289455781 hasConcept C177148314 @default.
- W289455781 hasConcept C199360897 @default.
- W289455781 hasConcept C2778029271 @default.
- W289455781 hasConcept C2781442258 @default.
- W289455781 hasConcept C33332235 @default.
- W289455781 hasConcept C33923547 @default.
- W289455781 hasConcept C41008148 @default.
- W289455781 hasConcept C62520636 @default.
- W289455781 hasConcept C9249130 @default.
- W289455781 hasConcept C97355855 @default.
- W289455781 hasConceptScore W289455781C104970782 @default.
- W289455781 hasConceptScore W289455781C111458787 @default.
- W289455781 hasConceptScore W289455781C116594300 @default.
- W289455781 hasConceptScore W289455781C121332964 @default.
- W289455781 hasConceptScore W289455781C121864883 @default.
- W289455781 hasConceptScore W289455781C134306372 @default.
- W289455781 hasConceptScore W289455781C152365726 @default.
- W289455781 hasConceptScore W289455781C177148314 @default.
- W289455781 hasConceptScore W289455781C199360897 @default.
- W289455781 hasConceptScore W289455781C2778029271 @default.
- W289455781 hasConceptScore W289455781C2781442258 @default.
- W289455781 hasConceptScore W289455781C33332235 @default.
- W289455781 hasConceptScore W289455781C33923547 @default.
- W289455781 hasConceptScore W289455781C41008148 @default.
- W289455781 hasConceptScore W289455781C62520636 @default.
- W289455781 hasConceptScore W289455781C9249130 @default.
- W289455781 hasConceptScore W289455781C97355855 @default.
- W289455781 hasLocation W2894557811 @default.
- W289455781 hasOpenAccess W289455781 @default.
- W289455781 hasPrimaryLocation W2894557811 @default.
- W289455781 hasRelatedWork W1636746421 @default.
- W289455781 hasRelatedWork W2257520464 @default.
- W289455781 hasRelatedWork W2262814848 @default.
- W289455781 hasRelatedWork W2269097183 @default.
- W289455781 hasRelatedWork W2299856676 @default.
- W289455781 hasRelatedWork W2470679486 @default.
- W289455781 isParatext "false" @default.
- W289455781 isRetracted "false" @default.
- W289455781 magId "289455781" @default.
- W289455781 workType "article" @default.