Computational Materials Science Group - ppt download

Computational Materials Science Group - ppt download: DFT Review ETot=Ts+Eee+Ene +Enn+Tn Write the electronic density in terms of a set of non-interacting orbitals: kinetic energy nuclei potential electrostatic interaction. exchange and correlation If Exc[] were known, the exact ground state could be found.

Surfaces of Metal Oxides, Studied at the Atomic Scale - ppt download

Surfaces of Metal Oxides, Studied at the Atomic Scale - ppt download: Why Study Metal Oxides? They are there. They are useful.