Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms
摘要: … The exchange energy functional E x [n] and potential vx ([n]; r)≡ δ E x/δn (r) must satisfy E x [n]+ F d 3 rn (r) r⋅∇ vx ([n]; r)= 0, while the correlation energy and potential must satisfy E c [n…