| Introduction to Density Functional Theory: Principles and Practice
(objectives)
The course proposes the introduction to the density functional theory (DFT) for quantum first principles simulations aimed at calculating the properties of electrons in condensed matter.
This theory goes beyond the single-electron approximation and Hartree-Fock approximation. He also proposes the study of the Car-Parrinello method for quantum molecular dynamics. Practical exercises on condensed matter physics problems are planned with the use of the well-known Quantum Espresso program.
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Università Roma Tre