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

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     
10-11     
11-12     
12-13     
13-14     
14-15     
15-16     
16-17     
17-18     
18-19     
19-20     
20-21     
21-22