• To provide an introduction into basic concepts of quantum mechanics.
• To advance knowledge of quantitative analysis of molecular spectra.
• To make students familiar with the basic ideas of photochemistry.

(LO1) Demonstrate an understanding of the basic concepts of quantum mechanics, including operators and wavefunctions, and their application to simple systems.

(LO2) Show an understanding of different types of molecular energy levels, the forms of spectroscopy which involve transitions between them, and how molecular quantities can be extracted from the spectra.

(S1) Critical thinking and problem solving - Evaluation

(S2) Critical thinking and problem solving - Problem identification

(S3) Numeracy/computational skills - Reason with numbers/mathematical concepts

(S4) Numeracy/computational skills - Confidence/competence in measuring and using numbers

(S5) Numeracy/computational skills - Problem solving

*Exams (80 %)
*Coursework (20 %)

Exam: Assesses learning outcomes by short answer, short essay type, and problem-solving questions.
Coursework: Four continuously assessed workshops at times to be arranged. Questions will cover fundamentals, background, practice and more advanced problems.

Standard UoL penalties apply for late submission.
Assessments are marked anonymously where possible.

Resit opportunities in accordance with COPA:.
There will be a single resit opportunity covering all assessed components.

Quantum mechanics

1.Basic postulates of quantum mechanics and their interpretation, including: wave-functions and Born interpretation and Heisenberg uncertainty relations.
2.Methods of quantum mechanics including: properties of operators and the relationship to physical observables, eigenvalue equations and expectation values, transition dipole moments.
3.Hamiltonian and momentum operators, the basics of the Schrödinger equation.
4.Examples of the Schrödinger equation, including: particle in a one-dimensional box, particle on a ring, tunnelling, atomic and molecular energy levels, potential energy curves, the Born-Oppenheimer Approximation.
5.Bonding in simple molecules.

Spectroscopy

1.The basics of spectra formation: transitions, energy scales, line widths.
2.Rotation spectra of diatomics: eigenvalues, selection rules, line spacing, quantitative description.
3.Harmonic oscillator model of molecular vibrations: eigenvalues, selecti on rules.
4.The rotation-vibrations spectrum: qualitative appearance, line spacings in the harmonic oscillator rigid rotor approximation, quantitative description.
5.Anharmonicity: comparison to harmonic oscillator, effects on IR spectra.
6.Vibrations of polyatomics (revision).
7.Electronic transitions: the Franck-Condon Principle, selection rules, vertical transitions, vibrational structure.

Photochemistry

1.Dissociation induced by electronic transitions: Bound - bound and bound - free (continuum) transitions.
2.Jablonski diagram, radiative and non-radiative decay processes, fluorescence and phosphorescence.