Quantum chemistry
Summary
Introduction to Quantum Mechanics with examples related to chemistry
Content
- Introduction and historical perspective
- The Time Independent Schrödinger equation and applications to simple systems
- Measurements in quantum mechanical systems
- Operator formulation of the Schrödinger Equation
- Postulates of quantum mechanics
- Time dependent Schrödinger equation
- The harmonic oscillator
- Three dimensional systems
- Angular momentum
- The hydrogen atom
- Approximation methods
- Many electron atoms
- Electron spin and the Pauli principle
- Term symbols and coupling of angular momentum
- Quantum mechanical treatment of molecules
- Electronic structure calculations
Learning Outcomes
By the end of the course, the student must be able to:
- Formulate quantum mechanical concepts
- Derive quantum mechanical operators
- Solve eigen value equations
- Solve the Schrodinger equation for simple systems
- Apply quantum mechanical concepts to simple problems
- Use approximation methods
- Formulate the relation between spin and the Pauli Exclusion principle and discuss the implications for chemistry
- Derive term symbols for atoms and molecules
- Discuss the principles of molecular bonding
Teaching methods
Ex Cathedra with excersise sessions
Expected student activities
Work on the exercises at home
Assessment methods
Oral exam
Resources
Bibliography
Primary Reference:
- D. A. McQuarrie, Quantum Chemistry
Secondary References:
- P. W. Atkins, Molecular Quantum Mechanics
- Cohen-Tannoudji, Diu, and Laloë, Quantum Mechanics
- B.H. Bransden and C.J. Joachain, Introduction to Quantum Mechanics
Ressources en bibliothèque
- Quantum mechanics / Bransden
- Quantum mechanics / Cohen-Tannoudji
- Quantum chemistry / McQuarrie
- Molecular quantum mechanics / Atkins
Moodle Link
In the programs
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Quantum chemistry
- Lecture: 4 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Type: mandatory
- Semester: Fall
- Exam form: Oral (winter session)
- Subject examined: Quantum chemistry
- Lecture: 4 Hour(s) per week x 14 weeks
- Exercises: 2 Hour(s) per week x 14 weeks
- Type: mandatory