From Quantum to Molecule

Course Objective

The overall aim of this course is to introduce the students to the basic mathematical language required to describe atoms, electrons, and molecules by means of the quantum mechanical description of matter. On the one hand, the topics covered in the course are required to gain a better understanding of the physical basis of important chemical properties and physical reactions that appear frequently in a medical context. On the other hand, this formalism also allows us to translate quantum mechanical concepts into measurable quantities that can then be used for medical applications, such as positron therapy or magnetic nuclear resonance. In this course, we will therefore cover a number of topics which range from fundamental quantum mechanics to the corresponding applications in medical sciences.

Course Content

The contents of the course are the following:

We start with an introduction to the quantum world, relevant for the description of small objects like atoms, molecules, and electrons. This involves presenting important concepts such as the wave-particle duality, the De Broglie relations, and the Heisenberg uncertainty principle of quantum mechanics.

We will then move to present the fundamental equation of motion of quantum theory, namely the Schrödinger equation, and apply it to a number of important systems such as free motion, the particle in a box, the harmonic oscillator, the hydrogen atom, multi-electron atoms.

We will then explore next how quantum theory allows describing the binding mechanisms between atoms that lead to the formation of molecules. In this context, we will study the valence bond theory, the molecular orbital theory, the concepts of hybridization in molecular interactions, hydrogen bridges, and then Hückel theory for the description of pi-bonds in polyatomic molecules.

In the last part of the course we will consider the phenomena associated to light-matter interactions in molecules, known as molecular spectroscopy. We study vibrational modes in molecules, and how we can characterise them, as well as the mechanism underlying phosphorescence and photoluminescence. We emphasise their medical applications, such as Photosensitive Therapy and Magnetic Nuclear Resonance.

Additional Information Teaching Methods

Lectures and tutorials

Method of Assessment

2 Tests (each on part of the contents; each counting 15%) & final exam (counting 70%).

Tests only count when made better than exam, otherwise exam grade counts,

Entry Requirements

Calculus X_400617

Fysica: Mechanica voor MNW X_430060

Mathematische Methoden X_401022

Fysica: Elektriciteit en Magnetisme voor MNW X_430061

Differentiaalvergelijkingen X_420556

Thermodynamica X_430513

Additional Information Target Audience

2MNW