CH-353 / 4 crédits

Enseignant: Röthlisberger Ursula

Langue: Anglais


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

Learning Outcomes

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

  • Manage basic theoretical concepts of electronic structure methods-
  • Carry out simple electronic structure calculations.

Transversal skills

  • Plan and carry out activities in a way which makes optimal use of available time and other resources.
  • Evaluate one's own performance in the team, receive and respond appropriately to feedback.
  • Make an oral presentation.
  • Write a scientific or technical report.

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

Dans les plans d'études

  • Semestre: Automne
  • Forme de l'examen: Pendant le semestre (session d'hiver)
  • 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 (session d'hiver)
  • 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 (session d'hiver)
  • 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 (session d'hiver)
  • 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 (session d'hiver)
  • 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     
10-11BCH1113
BCH3303
   BCH4310
BCH1113
11-12   
12-13     
13-14    BCH4310
BCH1113
14-15    
15-16     
16-17     
17-18     
18-19     
19-20     
20-21     
21-22     

Vendredi, 10h - 12h: Exercice, TP BCH4310
BCH1113

Vendredi, 13h - 15h: Cours BCH4310
BCH1113

Lundi, 10h - 12h: Cours BCH1113
BCH3303