Content deleted Content added
Bob K31416 (talk | contribs) →Exchange functional: simplified math expressions |
Bob K31416 (talk | contribs) →Exchange functional: added - sign and changed style to that of Parr and Yang |
||
Line 21:
The exchange-energy density of a HEG is known analytically. The LDA for exchange employs this expression under the approximation that the exchange-energy in a system where the density in not homogeneous, is obtained by applying the HEG results pointwise, yielding the expression<ref name="parryang">{{cite book|last=Parr|first=Robert G|coauthors=Yang, Weitao|title=Density-Functional Theory of Atoms and Molecules|publisher=Oxford University Press|___location=Oxford |date=1994|isbn=978-0-19-509276-9}}</ref><ref>{{cite journal|last=Dirac|first=P. A. M.|date=1930|title=Note on exchange phenomena in the Thomas-Fermi atom|journal=Proc. Cambridge Phil. Roy. Soc.|volume=26|pages=376–385}}</ref>
:<math>E_x = - \frac{3}{4}\left( \frac{3}{\pi} \right)^{1/3}\int\
== Correlation functional ==
| |||