Learning objectives
Knowledge and understanding: the students will acquire basic knowledge in quantum mechanics and specific knowledge on applications of quantum mechanics to chemically relevant problems.
Applying knowledge and understanding: the students will acquire the tools required to re-interpret and formally describe chemical knowledge acquired in basic chemical courses (wavefunction, orbitals, chemical bond, spin, etc...)
Learning skills: the student will acquire methodological competences and the basic tools of chemical quantum mechanics as to be able to read and understand specialistic literature.
Prerequisites
To fruitfully access the course students must master basic mathematical tools, and have a good knowledge of basic concepts in physics.
Course unit content
Quantum Mechanics: an introduction
A few exact solutions of the Scrödinger equation
Methods of approximation
Symmetry in Quantum Mechanics
Atoms and molecules: some basic concepts
Atomic structure
Molecular structure
Full programme
Introduction to quantum mechanics
*the double-slit experiment, photon polarization and teh superposition principle
*states & operators, vectors & matrices
*observables, eigenstates and measurements
*commutability & compatibility
*Schrödinger representation
*Schrödinger equation
Exact solutions of the Schrödinger equation
*the free particle
*the particle in a box
*the harmonic oscillator
*the rigid rotor, angula momenta & spin
*one-electron atoms
Approximation methods
*perturbation theory for stationary states
*variational method
Symmetry in quantum mechanics
*symmetry & group theory
*symmetry & quantum mechanics
*point groups, continuous groups
*exchange symmetry: fermions & bosons
Atoms & molecules: some basic concepts
*the adiabatic approximation (Born-Oppenheimer)
*mean-field approximation, atomic/molecular orbitals
Atomic structure
*configurations & aufbau
*coupling of angular momenta
*spin-orbit coupling
Molecolar structure
*chemica bond: the hydrogen molecule
*diatomic homonuclear molecules
*polyatomic molecules
*hybrid orbitals
*transition metal complexes
*electronic structure calculations (primer)
*the Huckel method
*vibrations of polyatomic molecules
Bibliography
the suggested textbook
P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, Oxford University Press, 2011 -
is complemented with lectures notes available to the students
Teaching methods
class lectures
Assessment methods and criteria
final oral exam
Other information
lecture notes are available to the students.
The teacher is available to the student upon request to discuss and clarify specific issues.
