The Linear Response Function. - Vrije Universiteit Brussel

• Variational Principlev[ ] ( ) [ ]ρ( r) → H → E = E ρ = ρ r v( r) d r + F ρ( r)op∫HKδF v(r)+ HK= µδρ(r)F HK Universal HohenbergKohn functionalLagrangian Multipliernormalisation∫ ρ(r) dr = N• Practical implementation : Kohn Sham equationsComputational breakthroughPag.6-1-2012 4