Coursebooks 2016-2017

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Introduction to electronic structure methods

CH-353

Lecturer(s) :

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

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.

Resources

Ressources en bibliothèque

In the programs

    • Semester
       Fall
    • Exam form
       During the semester
    • Credits
      4
    • 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
  • Passerelle HES - CGC, 2016-2017, Autumn semester
    • Semester
       Fall
    • Exam form
       During the semester
    • Credits
      4
    • 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
    • Credits
      4
    • 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
    • Credits
      4
    • 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
    • Credits
      4
    • 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     
10-11     
11-12     
12-13     
13-14     
14-15     
15-16     
16-17     
17-18     
18-19     
19-20     
20-21     
21-22     
Under construction
 
      Lecture
      Exercise, TP
      Project, other

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  • Autumn semester
  • Winter sessions
  • Spring semester
  • Summer sessions
  • Lecture in French
  • Lecture in English
  • Lecture in German