Documents Take-home postcard. Basis set: Atomic orbitals s p d f SIESTA: Strictly localized (zero beyond...

Slide 1Take-home postcard Slide 2 Basis set: Atomic orbitals s p d f SIESTA: Strictly localized (zero beyond cut-off radius) Slide 3 Effective potential for valence electrons…

Documents FUNDAMENTALS The quantum-mechanical many-electron problem and Density Functional Theory Emilio...

Slide 1 FUNDAMENTALS The quantum-mechanical many-electron problem and Density Functional Theory Emilio Artacho Department of Earth Sciences University of Cambridge Summer…