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Quantum Mechanics (CHT112)

The purpose of the module is to introduce the students to the key concepts and techniques of quantum mechanics, and to apply them to areas such as the electronic structure of atoms and molecules. This module provides an introduction to the fundamental concepts of quantum mechanics, with application to the electronic structure of atoms and molecules. Topics taught in the module are: quantum description of matter; the Born-Oppenheimer approximation and chemical bonding; elementary application of group representation theory to the description of symmetry in atoms, molecules and solids.

Show that a given simple analytical function is an eigenfunction of the Schrodinger equation, and obtain the energy eigenvalue, for a number of important model examples e.g. particle-in-a-box, the harmonic oscillator, and the hydrogen atom. Compute the position, momentum and/or angular momentum expectation values of a given wavefunction for the same examples. Explain the difference between numerical and basis set expansion methods of solving wave mechanics equations. Explain what is meant by a one-electron configuration of an atom or molecule.

Be able to apply the methods and interpretation of quantum mechanics to a particular problem. Analyse the orbitals and vibrations of a symmetrical molecule by generating and reducing representations of the point group.

Illustrate the difference between bonding and antibonding molecular orbitals using simple diatomic examples. Carry out symmetry analysis of molecular orbitals and many-electron states.