Slide 110. Lecture SS 20005Optimization, Energy Landscapes, Protein Folding1 V10: beyond the Born-Oppenheimer approximation – coupled energy surfaces Todays lecture is…

Slide 1Fundamentals of DFT R. Wentzcovitch U of Minnesota VLab Tutorial Hohemberg-Kohn and Kohn-Sham theorems Self-consistency cycle Extensions of DFT Slide 2 BO approximation…

Fundamentals of DFT R. Wentzcovitch U of Minnesota VLab Tutorial Hohemberg-Kohn and Kohn-Sham theorems Self-consistency cycle Extensions of DFT BO approximation - Basic equations…

Fundamentals of DFT R. Wentzcovitch U of Minnesota VLab Tutorial Hohemberg-Kohn and Kohn-Sham theorems Self-consistency cycle Extensions of DFT BO approximation - Basic equations…

Thermodynamic functions of the heated electron subsystem in a cold lattice of ions Thermodynamic and Transport Properties of Strongly-Coupled Degenerate Electron-Ion Plasma…