Fiches de cours 2017-2018

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Introduction to electronic structure methods

CH-353

Enseignant(s) :

Röthlisberger Ursula

Langue:

English

Summary

Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbation theory, configuration interaction, coupled-cluster theory, density functional theory.

Content

Short repetition of the basic concepts of quantum mechanics and the main numerical algorithms used for practical implementions. Basic principles of electronic structure methods: Hartree-Fock, many body perturbation theory, configuration interaction, coupled-cluster theory, density functional theory. Overview of computational molecular modelling techniques.
Application of these techniques in a practical research project.

Learning Outcomes

By the end of the course, the student must be able to:

Transversal skills

Teaching methods

Ex cathedra and exercices on computers

 

Assessment methods

Ongoing controls as follow:

1/3 of final grade = 1 written exam in the middle of the semester

1/3 of final grade = 1 oral exam at the end of the semester

1/3 of final grade = average of the grades obtained on the weekly reports and questions asked on these reports.

Supervision

Office hours No
Assistants Yes
Forum No

Resources

Ressources en bibliothèque
Websites

Dans les plans d'études

    • Semestre
       Automne
    • Forme de l'examen
       Pendant le semestre
    • Crédits
      4
    • Matière examinée
      Introduction to electronic structure methods
    • Cours
      3 Heure(s) hebdo x 14 semaines
    • Exercices
      1 Heure(s) hebdo x 14 semaines
  • Passerelle HES - CGC, 2017-2018, Semestre automne
    • Semestre
       Automne
    • Forme de l'examen
       Pendant le semestre
    • Crédits
      4
    • Matière examinée
      Introduction to electronic structure methods
    • Cours
      3 Heure(s) hebdo x 14 semaines
    • Exercices
      1 Heure(s) hebdo x 14 semaines
    • Semestre
       Automne
    • Forme de l'examen
       Pendant le semestre
    • Crédits
      4
    • Matière examinée
      Introduction to electronic structure methods
    • Cours
      3 Heure(s) hebdo x 14 semaines
    • Exercices
      1 Heure(s) hebdo x 14 semaines
    • Semestre
       Automne
    • Forme de l'examen
       Pendant le semestre
    • Crédits
      4
    • Matière examinée
      Introduction to electronic structure methods
    • Cours
      3 Heure(s) hebdo x 14 semaines
    • Exercices
      1 Heure(s) hebdo x 14 semaines
    • Semestre
       Automne
    • Forme de l'examen
       Pendant le semestre
    • Crédits
      4
    • Matière examinée
      Introduction to electronic structure methods
    • Cours
      3 Heure(s) hebdo x 14 semaines
    • Exercices
      1 Heure(s) hebdo x 14 semaines

Semaine de référence

 LuMaMeJeVe
8-9     
9-10     
10-11    Bch4119
11-12    
12-13     
13-14    Bch1113
Bch4119
14-15    
15-16 Bch1113
Bch4119
   
16-17    
17-18     
18-19     
19-20     
20-21     
21-22     
 
      Cours
      Exercice, TP
      Projet, autre

légende

  • Semestre d'automne
  • Session d'hiver
  • Semestre de printemps
  • Session d'été
  • Cours en français
  • Cours en anglais
  • Cours en allemand