Good news! The Erasmus Mundus label of the SERP-Chem master has been renewed for 3 more classes!!!  In September 2017, our team will thus start a new adventure with the SERP+ master.

Scholarships available and applications on our new website: www.master-serp.eu

Quantum mechanics, thermodynamic, applications


Content

The module is devoted to the basic tools in theoretical chemistry. It is divided in three parts. The first part gives the basic tools of quantum mechanics theory (Schrodinger equation, application with basic models, quantum wells, harmonic oscillator, rotator, hydrogenic atom). The cursus also intoduces approximate methods (perturbation theory and variational method. The second part is devoted to molecular orbital theory in quantum chemistry (molecular orbital diagrams, interaction of fragment orbitals, electronic structure). Computation of electronic structures are illustrated by simulations on computors. The third part gives the basic tools of statistical mechanics (Gibbs ensembles, partition function, relations between partition functions and thermodynamical properties). it also gives the basis for simulations in condensed phase by taking into account intermolecular forces. Examples from the industrial life are given.

Aims

The objective is to give theoretical tools which are used in different other modules, for example in spectroscopy and in computational chemistry and simulations in physical chemistry.

Recommended Books

http://www.lcp.u-psud.fr/spip.php?page=fiche_identite&prenom=Mich%C3%A8le&nom=Desouter-LecomteOrbital Interaction in Chemistry, T.A. Albright, A. Burdett, M.H. Wangbo, John Wiley & Sons, 1985
Molecular Quantum Mechanics, P. W. Atkins and R. S. Friedman, Oxford University Press
Introduction to Modern Statistical Mechanics, David Chandler, Oxford University Press 1987

Teaching Staff

Michèle Desouter-Lecomte (Course coordinator) [Learn more...]
David Lauvergnat [Learn more...]

Hours

Lecture: 25 h
Tutorial: 5 h
Practical courses: 10 h

Grading System

Final exam: 80 %
Practical course: 20 %

About SERP-Chem

Since its creation in 2008 the SERP-Chem master has benefit from the support of many patners. Click on the following link to visit our partners.

This project has been funded with support from the European Commission. This communication reflects the views only of the author, and the Commission cannot be held responsible for any use which may be made of the information contained therein.

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Latest News

Paris-Saclay Graduation Ceremony
The class of 2016 had the opportunity to participate in the Paris-Saclay Graduation ceremony that took place at the University Paris-Sud on the 3rd of March. Congratulations! 
 
March 29, 2017

Get in Touch

  • Phone:
    +33.1.69.15.51.25
  • Email:
    serp.chem@u-psud.fr
  • Address:
    Université Paris-Sud
    Building 308 (room 3016, 1st floor)
    91 405 ORSAY cedex - FRANCE

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