## 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.