Atoms, Molecules and Spins: Quantum Mechanics in Chemistry and Spectroscopy

Learning Outcomes

Learning Outcomes

Having successfully completed this module you will be able to:

• predict atomic and molecular spectra taking electron and nuclear spin into account
• understand their formulation in mathematical terms
• understand the fundamentals of quantum mechanics
• use time-dependent quantum mechanics to predict the outcome of simple experiments
• understand the role of time in quantum mechanics
• use time-dependent quantum mechanics to understand magnetic resonance and magnetic resonance imaging.
• understand the quantum mechanical treatment of angular momentum

Part A: The Quantum World

Time independent quantum mechanics

1. Operators, momentum, commutators, expectation values

2. Heisenberg’s uncertainty principle, Schrödinger equation

3. Angular momentum, commutation, raising and lowering operators, quantisation of angular momentum

4. Spin

5. Fine structure and hyperfine structure. Atomic clocks.

6. Coupling of angular momenta. Singlet and triplet states.

7. Nuclear energy levels and nuclear spin.

Part B: How Spins, Atoms, and Molecules Move

Quantum Dynamics

10. Time-dependent quantum mechanics: Schrödinger equation

11. Time evolution of stationary states.

12. Superposition states. Schrödinger’s cat & friends

13. Spin state precession, magnetic resonance, and magnetic resonance imaging.

Teaching and learning methods

Study time allocation [Contact time includes: Lectures, seminars, tutorials, project supervision, demonstration, practicals/workshops/fieldwork/external visits/work based learning]

Teaching and Learning Methods

A mix of physical and on-line lectures will be used. The lectures will provide an introduction to each of the topics covered by the syllabus and will include worked examples and illustrations of applications of the concepts. Most online material will be prerecorded and edited.

The online material is supplemented by regular online self-tests allowing students to check their own progress and to allow the teachers to monitor the students progress.

Lectures and online sessions will also include quizzes to facilitate progress checking and allow rapid adjustments to the teaching delivery.

Workshops will be conducted physically and will provide students with guided practice in application of the concepts covered by the syllabus that exemplify the theories covered and will allow students to deepen their understanding.

Self-study will enable students to consolidate their knowledge of the subject matter and to explore the application of the concepts to additional problems.

Resources & Reading list

Textbooks

C. Cohen-Tannoudji, B. Diu, F. Laloe (1977). Quantum Mechanics. Wiley.

M. H. Levitt (2007). Spin Dynamics. Wiley.

P. W. Atkins and R. S. Friedman (2011). Molecular Quantum Mechanics. OUP.

Summative

This is how we’ll formally assess what you have learned in this module.

Referral

This is how we’ll assess you if you don’t meet the criteria to pass this module.

Repeat Information

Repeat type: Internal & External