CH-353 / 4 credits

Teacher: Röthlisberger Ursula

Language: 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

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

In the programs

  • Semester: Fall
  • Exam form: During the semester (winter session)
  • Subject examined: Introduction to electronic structure methods
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks
  • Semester: Fall
  • Exam form: During the semester (winter session)
  • Subject examined: Introduction to electronic structure methods
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks
  • Semester: Fall
  • Exam form: During the semester (winter session)
  • Subject examined: Introduction to electronic structure methods
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks
  • Semester: Fall
  • Exam form: During the semester (winter session)
  • Subject examined: Introduction to electronic structure methods
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks
  • Semester: Fall
  • Exam form: During the semester (winter session)
  • Subject examined: Introduction to electronic structure methods
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks

Reference week

 MoTuWeThFr
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     

Friday, 10h - 12h: Exercise, TP BCH4310
BCH1113

Friday, 13h - 15h: Lecture BCH4310
BCH1113

Monday, 10h - 12h: Lecture BCH1113
BCH3303