Gantry 5 Component: Cannot display content; not in Gantry 5 template!

Course catalogue

Create your own master’s programme by choosing between the different specializations of our partner universities.

Master SERP+ Programme - cohort 2020-2025

Quantum mechanics (5 ECTS)


Chapter 1: Fundamental concepts

  • Domain of quantum mechanics : “microscopic word”
  • Properties of electromagnetic waves
  • Wave-particle duality : de Broglie’s wave for a free particle
  • Double slit experiment
  • Wave function,
  • Time dependent and time independent Schrödinger equations
  • Superposition of states
  • Postulates of quantum mechanics

Chapter 2: Quantization

  • Quantization in an infinite well (1D, 2D and 3D)
  • Tunnelling effects
  • Finite 1D well
  • Double well

Chapter 3: Molecular vibrations

  • Born-Oppenheimer approximation
  • Separation of the center of mass in a two-body problem
  • Harmonic oscillators
  • Vibration of a diatomic molecules
  • Vibrational normal modes
  • Franck-Condon principle

Chapter 4: Rotations and Hydrogenic atoms

  • Particle on a sphere
  • Rigid diatomic rotor
  • Angular

Chapter 5: Electronic structure of molecules and nanoparticles

  • Molecular Hamiltonian
  • Born-Oppenheimer approximation
  • Linear combination of atomic orbitals
  • Orthogonal and nonorthogonal basis sets, minimal basis set
  • Molecule orbitals : sigma/pi, overlap
  • Molecular orbital energies, Koopman theorem
  • HOMO-LUMO gap
  • Mulliken charge, ionisation energy, electronegativity, electron affinity
  • Molecular Orbital diagram, Walsh correlation diagram
  • Extended Hückel Theory
  • Introduction to Tight-Binding Density Functional Theory


The course introduces the fundamentals of quantum mechanics and applies the timedependent and time independent Schrödinger equations to analytically solvable systems. The free electron confined in a box potential, the hydrogen atom, the rotational and vibrational motions of diatomic molecules are treated in detail. Important concepts related to electronic structure are introduced. Approximate methods such as extended Hückel theory and tight-binding density functional theory are applied to study the structure and reactivity of molecules and nanoparticles.


Elementary Linear Algebra, and Undergraduate Physical Chemistry


Teaching Staff

Van-Oanh Nguyen-Thi
Dominik Domin


Lecture: 10 h
Tutorial: 13 h
Practical courses: 14 h

Grading System

2 exams (70%) + 2 quizzes and 2 practical labs (30%)