CHE 506LEC - Quantum Chemistry and Spectroscopy of Molecules and Nanostructures

Quantum chemical calculations are used by theoretical and experimental groups in order to understand molecular and material properties and predict and understand chemical reactivity. This course is designed to give the students an introductory overview of quantum chemical methods applied to molecules, clusters and nanoparticles. Electronic structure and molecular orbital (MO) theory will be introduced for polyatomic molecules and nanoscale solids. Hückel’s theory will be discussed in relation to conjugated structures and aromatic molecules. Applications of density functional theory to molecules, clusters and nanostructures will be introduced. An introduction to nanoplasmonics, nanophotonics and met photonics will be presented. The course will also cover various spectroscopic methods to probe molecular structure and dynamics.

Credits: 3