Study programme 2019-2020 | Français | ||
Theoretical Molecular Chemistry | |||
Learning Activity |
Code | Lecturer(s) | Associate Lecturer(s) | Subsitute Lecturer(s) et other(s) | Establishment |
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S-CHIM-801 |
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Language of instruction | Language of assessment | HT(*) | HTPE(*) | HTPS(*) | HR(*) | HD(*) | Term |
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Français | Français | 10 | 0 | 0 | 0 | 0 | Q2 |
Organisational online arrangements for the end of Q3 2019-2020 assessments (Covid-19) |
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Description of the modifications to the Q3 2019-2020 online assessment procedures (Covid-19) |
An oral exam will be organized remotely with access to the slides of the course The duration of the exam will be 30 minutes per student |
Content of Learning Activity
- 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
Required Learning Resources/Tools
Not applicable
Recommended Learning Resources/Tools
Not applicable
Other Recommended Reading
Not applicable
Mode of delivery
Type of Teaching Activity/Activities
Evaluations
The assessment methods of the Learning Activity (AA) are specified in the course description of the corresponding Educational Component (UE)