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Quantum Mechanics for Materials Science

1M1AE1 Quantum Mechanics for Materials Science Materials and Chemistry S5
Lessons : 14 h TD : 7 h TP : 0 h Project : 0 h Total : 21 h
Co-ordinator : Raymond Fresard
Prerequisite
General knowledge in mechanics, matrices.
Course Objectives
Give future engineers the tools to understand the existence and properties of the solid state on the basis of quantum theory of atoms and molecules, and the principles of various spectroscopies.
Syllabus
Introduction: Quantum effects from the molecule to the solid.
Bohr-Van Leuven's theorem.
Concept of states and operators, postulates and formalism ' ' bra-ket ' '.
Stern-Gerlach experiments and spin.
Temporal evolution and Schrödinger's equation.
Free particle and harmonic oscillator.
Hydrogen and hydrogenic atoms and the periodic table.
Relativistic effects, spin-orbit coupling and Zeeman effect.
Practical work (TD or TP)
Quantization of the angular momentum and orbitals.
Molecular orbitals and binding energy of a molecule.
Nuclear magnetic resonance.
Acquired skills
Understanding of the quantum description of simple systems.
Knowledge of the description of ions and molecules.
Understanding of the response of ions to external fields.
Bibliography
Modern approach to quantum mechanics, J. S. Townsend (2000).
Mécanique quantique, C. Cohen-Tanoudji, B. Diu et F. Laloë, Hermann (1973).
Principles of Quantum Mechanics, R. Shankar, Kluwer Academic/Plenum Publishers (1994).

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