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.
• Help lead and complete a major development project, individually or in teams, related to chemistry.
• Mobilise, articulate and promote the knowledge and skills acquired.
• Assess the degree of complexity of the project and take into account the objectives, allocated resources and constraints that characterise it.
• Demonstrate independence and their ability to work alone or in teams.
• Communicate clearly in the scientific domain.
• Communicate, both orally and in writing, their findings, original proposals, knowledge and underlying principles, in a clear, structured and justified manner.
• Apply high quality scientific methodology.
• Critically reflect on the impact of chemistry in general and projects to which they particularly contribute.
• Demonstrate thoroughness, independence, creativity, intellectual honesty, and ethical values.

Learning Outcomes of UE

This course aims at introducing the basic concepts of quantum chemistry
Content :
- Approximation of Born-Oppenheimer
- Independent model
- Slater determinant
- Introduction of spin
- Hartree-Fock theory
- Extension to molecules : Roothaan-Hall
- Correlation error
- Post-Hartree-Fock methods
- Configuration Interaction (CI) Method
- Density Functional Theory

UE Content: description and pedagogical relevance

Not applicable

Prior Experience

Not applicable

Q1 UE Assessment Comments

Not applicable

Q1 UE Resit Assessment Comments (BAB1)

Not applicable

Type(s) and mode(s) of Q2 UE assessment

• Written examination - Face-to-face
• Oral examination - Face-to-face

Q2 UE Assessment Comments

Not applicable

Method of calculating the overall mark for the Q2 UE assessment

20% of the total score for practical works

Type(s) and mode(s) of Q3 UE assessment

• Written examination - Face-to-face
• Oral examination - Face-to-face

Q3 UE Assessment Comments

Not applicable

Method of calculating the overall mark for the Q3 UE assessment

Idem