After this course, you

This course gives a broad introduction into the basics of quantum mechanics (QM) and its applications to the electronic structure of small systems. It will focus on the fundamental principles of QM and how these can lead us to understand atomic structure. The course is a prerequisite for the course The Molecular Bond, which will be given in the following Quarter

The course starts with the postulates of QM, such as the use of wavefunctions to describe all properties of a system, and the Schrödinger equation, which describes the wavefunction's time evolution. The interpretation of the wavefunction will be given in relation to measuremernts of physical observables (position, momentum, angular momentum,...) , and is applied to such simple model systems as the particle-in-a-box, electron scattering and tunneling, the harmonic oscillator, and the rigid rotor. As QM is in many respects drastically different from classical mechanics, extra attention will be given to those examples where our classical intuition leads to wrong conclusions in quantum mechanical situations. Once the basic principles have been introduced, we will combine all in the quantum mechanical description of the hydrogen atom. Beyond the hydrogen atom, we will require the use of approximations such as perturbation theory, and the formulation of QM with matrices. Using the solutions of the Schrodinger equation for hydrogen as a basis, we will then be able to explain the electronic structure of the elements in terms of atomic orbitals, their possible configurations and term symbols, to make clear how the periodic table is formed. For the latter, we will introduce the quantum mechanical concept spin. During the course the relationship between QM and current chemical research will be discussed, linking it to e.g. optical (IR) spectroscopy and nuclear magnetic resonance spectrometry.