Hohenberg–Kohn theorems: ground-state observables are functionals of the density n(r); Kohn–Sham equations map the interacting system to a non-interacting one with an effective potential. Workhorse of ab-initio materials simulation.
Hohenberg–Kohn theorems: ground-state observables are functionals of the density n(r); Kohn–Sham equations map the interacting system to a non-interacting one with an effective potential. Workhorse of ab-initio materials simulation.