 | Study programme 2021-2022 | Français | |
 | Theoretical Molecular Chemistry | ||
Programme component of Master's in Chemistry à la Faculty of Science |
| Code | Type | Head of UE | Department’s contact details | Teacher(s) |
|---|---|---|---|---|
| US-M1-SCCHIM-007-M | Compulsory UE | CORNIL Jérôme | S817 - Chimie des matériaux nouveaux |
|
| Language of instruction | Language of assessment | HT(*) | HTPE(*) | HTPS(*) | HR(*) | HD(*) | Credits | Weighting | Term |
|---|---|---|---|---|---|---|---|---|---|
| Français | 10 | 15 | 0 | 0 | 0 | 3 | 3.00 | 2nd term |
| AA Code | Teaching Activity (AA) | HT(*) | HTPE(*) | HTPS(*) | HR(*) | HD(*) | Term | Weighting |
|---|---|---|---|---|---|---|---|---|
| S-CHIM-801 | Theoretical Molecular Chemistry | 10 | 0 | 0 | 0 | 0 | Q2 | |
| S-CHIM-841 | Practical work in molecular theoretical chemistry | 0 | 15 | 0 | 0 | 0 | Q2 |
| Programme component |
|---|
Objectives of Programme's Learning Outcomes
- In the field of chemistry, possess highly specialised and integrated knowledge and a wide range of skills adding to those covered in the Bachelor's programme in chemistry.
Learning Outcomes of UE
This course aims at introducing the basic notions in quantum chemistry to be able to compute the electronic structure of materials and their absorption and UPS spectra
Content of UE
Basic notions in quantum mechanics - LCAO approximation - Independent model - Hückel method - Introduction of the spin - Slater determinant - Variational principle - Hartree-Fock method - Roothaan-Hall method - Basis functions - Configuration interaction - Simulation of absorption and UPS spectra
Prior Experience
Not applicable
Type of Assessment for UE in Q2
- Oral Examination
- Written examination
Q2 UE Assessment Comments
Not applicable
Type of Assessment for UE in Q3
- Oral examination
- Written examination
Q3 UE Assessment Comments
NA
Type of Teaching Activity/Activities
| AA | Type of Teaching Activity/Activities |
|---|---|
| S-CHIM-801 |
|
| S-CHIM-841 |
Mode of delivery
| AA | Mode of delivery |
|---|---|
| S-CHIM-801 |
|
| S-CHIM-841 |
|
Required Reading
| AA | |
|---|---|
| S-CHIM-801 | |
| S-CHIM-841 |
Required Learning Resources/Tools
| AA | Required Learning Resources/Tools |
|---|---|
| S-CHIM-801 | Not applicable |
| S-CHIM-841 | Not applicable |
Recommended Reading
| AA | |
|---|---|
| S-CHIM-801 | |
| S-CHIM-841 |
Recommended Learning Resources/Tools
| AA | Recommended Learning Resources/Tools |
|---|---|
| S-CHIM-801 | Not applicable |
| S-CHIM-841 | Not applicable |
Other Recommended Reading
| AA | Other Recommended Reading |
|---|---|
| S-CHIM-801 | Not applicable |
| S-CHIM-841 | Not applicable |