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)
All courses during this semester
All courses during this semester
- Transferable skills: Polish course, Summer School in Entrepreneurship (6 ECTS)
- The molecules of life: from structure to chemical function (3 ECTS)
- Selected in silico and in vitro methods in thermodynamics and soft matter (6 ECTS)
- Organic chemistry (3 ECTS)
- Introduction to solid state (6 ECTS)
- Dynamics of photochemical reactions in chemistry, biology and medicine (6 ECTS)
- Transferable skills: Portuguese course, Summer School in Entrepreneurship (6 ECTS)
- Solid State Physics (6 ECTS)
- Molecular Energetics (3 ECTS)
- Laboratory of Materials and Surface Analysis (6 ECTS)
- Interfacial Electrochemistry (3 ECTS)
- Interfaces, Colloids and Self-Assembly (6 ECTS)
- Transferable skills: Summer School in Entrepreneurship (3 ECTS)
- Organic Photochemistry (3 ECTS)
- Italian Courses (3 ECTS)
- Introduction to Solid State (6 ECTS)
- Inorganic Functional Materials (3 ECTS)
- Electrochemical systems for energy conversion and storage (6 ECTS)
- Chemistry and Technology of Catalysis and Laboratory (6 ECTS)
All courses during this semester
- Nanosciences (6 ECTS)
- Nanoparticles and Advanced radiation therapies (6 ECTS)
- Fundamentals in data science and machine learning (3 ECTS)
- Femtochemistry (3 ECTS)
- Chemistry for renewable energy: from advanced research to industrial applications (6 ECTS)
- Transferable skills: Scientific writing, Polish courses (6 ECTS)
- Lanthanide luminescence: Application in chemistry and biology (6 ECTS)
- Introduction to Data Sciences (3 ECTS)
- Environmental photochemistry (3 ECTS)
- Computational and quantum photochemistry (6 ECTS)
- Applied photochemistry and luminescence spectroscopy (6 ECTS)
- Scientific Writing and Career Objectives (3 ECTS)
- Portuguese course (3 ECTS)
- Nanotechnologies, Micro and Nano-fabrication (6 ECTS)
- Materials Properties and Applications (6 ECTS)
- Electrochemical Technology (6 ECTS)
- Data Science Basics (3 ECTS)
- Bionanotechnology (3 ECTS)
- Transferable skills: Scientific Writing Industrial Seminars (3 ECTS)
- Surface Science and Nanostructuring at Surfaces (6 ECTS)
- Polymers for electronics and energy harvesting (6 ECTS)
- Laboratory on device building (3 ECTS)
- Italian Courses (3 ECTS)
- Data Science and Applications to Chemistry (3 ECTS)
- Composite materials for biomedical applications (6 ECTS)
Content
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
Aims
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.
Pre-requiste
Elementary Linear Algebra, and Undergraduate Physical Chemistry
Teaching Staff
Van-Oanh Nguyen-Thi
Dominik Domin
Hours
Lecture: 10 h
Tutorial: 13 h
Practical courses: 14 h
Grading System
2 exams (70%) + 2 quizzes and 2 practical labs (30%)
