Local-density approximation: Difference between revisions

Revision as of 00:25, 14 March 2014

Revision as of 08:42, 15 April 2014

Line 5:

:<math>E_{xc}^{\mathrm{LDA}}[\rho] = \int \rho(\mathbf{r})\epsilon_{xc}(\rho)\ \mathrm{d}\mathbf{r}\ ,</math>

where ''ρ'' is the [[electronic density]] and ''ε''_xc, is the exchange-correlation energy density,per isparticle of a function[[homogeneous electron gas]] of thecharge density alone''ρ''. The exchange-correlation energy is decomposed into exchange and correlation terms linearly,

:<math>E_{xc} = E_x + E_c\ ,</math>