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Master SERP+ Programme

Quantum mechanics


Content

The courses is divided into two distinct parts. The first half of the course introduces the fundamentals of quantum mechanics and applies the time dependent and time independent Schroedinger equations to analytically solvable systems. The particle confined in a box potential, the hydrogen atom, the rotational and vibrational motions of diatomic molecules are treated in detail.

In the second half of the course, the primary focus is the treatment of many-electron systems by approximate quantum mechanical methods including Hartree-Fock and post Hartree-Fock correlation methods (perturbation theory and configuration interaction). The methods are applied to ground state and excited states of atoms and molecules. Molecular Orbital theory will relate to the above methods and to simpler methods such as extended Hueckel theory, and will be used to build qualitative Molecular Orbital diagrams, Walsh correlation diagrams and to analyze the nature of chemical bonding.

Aims

This course introduces important concepts of quantum mechanics and elaborates fundamental methods in quantum chemistry that are essential for modelling the thermochemistry and spectroscopy of molecular systems.

Recommended Books

Molecular Quantum mechanics, fourth edition 2005, Peter Atkins and Ronald Friedman, Oxford university press

 

Teaching Staff

Michèle Desouter-Lecomte,
Van-Oanh Nguyen-Thi
Dominik Domin

Hours

Lecture: 18 h
Tutorial: 18 h
Practical courses: 14 h

Grading System

Exams: 70 %
Practical labs: 30 %