Coursebooks 2017-2018

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Caution, these contents corresponds to the coursebooks of last year


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

  • Chemistry, 2017-2018, Bachelor semester 5
    • 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, 2017-2018, 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
  • Computational science and Engineering, 2017-2018, Master semester 1
    • 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
  • Computational science and Engineering, 2017-2018, Master semester 3
    • 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
  • Biocomputing minor, 2017-2018, 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

Reference week

MoTuWeThFr
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
Lecture
Exercise, TP
Project, other

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  • Lecture in French
  • Lecture in English
  • Lecture in German