Matches in SemOpenAlex for { <https://semopenalex.org/work/W63822692> ?p ?o ?g. }
- W63822692 endingPage "167" @default.
- W63822692 startingPage "151" @default.
- W63822692 abstract "This chapter discusses how symmetry can be used to advantage in practical electronic density-functional calculations. The Born-Oppenheimer approximation is assumed in order to separate the nuclear and electronic densities. Under that approximation, the electronic density can be viewed as a fluid that responds to external fields such as those provided by the individual nuclei. The electron density as a whole has kinetic energy and potential energy, at least in the adiabatic limit. In that limit the potential energy can be subdivided into the potential energy of the density due to the applied fields, the electrostatic energy of the density itself, and the remainder, which is now called the exchange-correlation energy. The electronic Coulomb energy and the electronic potential due to the applied field are treated exactly in practical density-functional calculations. The kinetic energy can be divided into two parts. They are the kinetic energy of a non-interacting electron gas having the same density as the original system and the remainder, which is relegated to the catchall exchange-correlation energy. The practical appeal of this approach is that the exchange-correlation energy is always considerably smaller than any of these other energies; thus, approximations made to it would be expected to affect the accuracy of the results less than approximations made in evaluating the larger terms. There are tremendous computational advantages to requiring that exchange-correlation energy be a functional of the density alone." @default.
- W63822692 created "2016-06-24" @default.
- W63822692 creator A5071363061 @default.
- W63822692 date "1995-01-01" @default.
- W63822692 modified "2023-09-27" @default.
- W63822692 title "Symmetry and density-functional exchange and correlation" @default.
- W63822692 cites W127786 @default.
- W63822692 cites W1479705899 @default.
- W63822692 cites W1516933842 @default.
- W63822692 cites W1531005495 @default.
- W63822692 cites W1606536087 @default.
- W63822692 cites W1840376913 @default.
- W63822692 cites W1964130632 @default.
- W63822692 cites W1967173665 @default.
- W63822692 cites W1967278216 @default.
- W63822692 cites W1970512969 @default.
- W63822692 cites W1974780529 @default.
- W63822692 cites W1975050354 @default.
- W63822692 cites W1975180250 @default.
- W63822692 cites W1977646477 @default.
- W63822692 cites W1981079715 @default.
- W63822692 cites W1985432369 @default.
- W63822692 cites W1998866028 @default.
- W63822692 cites W2009867601 @default.
- W63822692 cites W2026907619 @default.
- W63822692 cites W2028839535 @default.
- W63822692 cites W2029296330 @default.
- W63822692 cites W2030976617 @default.
- W63822692 cites W2038166012 @default.
- W63822692 cites W2038533471 @default.
- W63822692 cites W2039003970 @default.
- W63822692 cites W2045304941 @default.
- W63822692 cites W2048618257 @default.
- W63822692 cites W2052637367 @default.
- W63822692 cites W2053668508 @default.
- W63822692 cites W2064262385 @default.
- W63822692 cites W2069026416 @default.
- W63822692 cites W2082719796 @default.
- W63822692 cites W2086957099 @default.
- W63822692 cites W2093972725 @default.
- W63822692 cites W2094135064 @default.
- W63822692 cites W2094973383 @default.
- W63822692 cites W2140807319 @default.
- W63822692 cites W2146406469 @default.
- W63822692 cites W2230728100 @default.
- W63822692 cites W2319996808 @default.
- W63822692 cites W2329717581 @default.
- W63822692 cites W2619609791 @default.
- W63822692 cites W2623841684 @default.
- W63822692 cites W2750452407 @default.
- W63822692 cites W3026219979 @default.
- W63822692 doi "https://doi.org/10.1016/s1380-7323(05)80035-4" @default.
- W63822692 hasPublicationYear "1995" @default.
- W63822692 type Work @default.
- W63822692 sameAs 63822692 @default.
- W63822692 citedByCount "2" @default.
- W63822692 crossrefType "book-chapter" @default.
- W63822692 hasAuthorship W63822692A5071363061 @default.
- W63822692 hasConcept C109663097 @default.
- W63822692 hasConcept C121332964 @default.
- W63822692 hasConcept C121864883 @default.
- W63822692 hasConcept C134306372 @default.
- W63822692 hasConcept C135889238 @default.
- W63822692 hasConcept C147120987 @default.
- W63822692 hasConcept C151201525 @default.
- W63822692 hasConcept C152365726 @default.
- W63822692 hasConcept C185592680 @default.
- W63822692 hasConcept C186370098 @default.
- W63822692 hasConcept C202444582 @default.
- W63822692 hasConcept C2524010 @default.
- W63822692 hasConcept C2779886137 @default.
- W63822692 hasConcept C33923547 @default.
- W63822692 hasConcept C35052450 @default.
- W63822692 hasConcept C62520636 @default.
- W63822692 hasConcept C84551667 @default.
- W63822692 hasConcept C92915299 @default.
- W63822692 hasConcept C9342510 @default.
- W63822692 hasConcept C9652623 @default.
- W63822692 hasConcept C98576551 @default.
- W63822692 hasConceptScore W63822692C109663097 @default.
- W63822692 hasConceptScore W63822692C121332964 @default.
- W63822692 hasConceptScore W63822692C121864883 @default.
- W63822692 hasConceptScore W63822692C134306372 @default.
- W63822692 hasConceptScore W63822692C135889238 @default.
- W63822692 hasConceptScore W63822692C147120987 @default.
- W63822692 hasConceptScore W63822692C151201525 @default.
- W63822692 hasConceptScore W63822692C152365726 @default.
- W63822692 hasConceptScore W63822692C185592680 @default.
- W63822692 hasConceptScore W63822692C186370098 @default.
- W63822692 hasConceptScore W63822692C202444582 @default.
- W63822692 hasConceptScore W63822692C2524010 @default.
- W63822692 hasConceptScore W63822692C2779886137 @default.
- W63822692 hasConceptScore W63822692C33923547 @default.
- W63822692 hasConceptScore W63822692C35052450 @default.
- W63822692 hasConceptScore W63822692C62520636 @default.
- W63822692 hasConceptScore W63822692C84551667 @default.
- W63822692 hasConceptScore W63822692C92915299 @default.
- W63822692 hasConceptScore W63822692C9342510 @default.