260065 VO Computational quantum mechanics (2010S)

This course focuses on the atomistic modeling of materials-specific properties through the solution of the many-electron Schrödinger equation. The students will be introduced to computational methods used in electronic structure calculations to reduce the complexity of the Schrödinger equation at various levels of sophistication. Specific topics include: the many-body problem, tight-binding approximation, Hartree-Fock approximation, and density functional theory. The applicability of the computational tools to diverse materials problems will be discussed (structure, electronic and magnetic properties, elastic constants, vibrational frequencies and other materials properties).
This course requires some prior experience in quantum mechanics and solid states physics.