Entry requirements

120 credits in science/engineering. Participation in Quantum Physics, Quantum Physics F, or Introduction to Materials Science (10 credits). Proficiency in English equivalent to the Swedish upper secondary course English 6.

Learning outcomes

On completion of the course, the student should be able to:

• Analyse and apply quantum mechanical concepts to describe electronic structure of atoms and molecules.
• Describe models, concepts and methods in theoretical and experimental atomic and molecular physics.
• Select appropriate approximations to construct the electronic structure of many-electron systems and molecules with varying levels of complexity.
• Describe how electronic structure and geometric structure are connected as the number of atoms increases – from single atoms, through molecules, to the solid state.
• Compare and describe modern experimental methods for studying the physical properties of atoms and molecules.

Content

Quantum mechanical description of bound one- and many-electron systems. States and state functions. Expectation values and stationary states. The eigenvalue problem and variational calculus for quantum mechanical wave functions.

States of one- and many-electron atoms as carriers of quantum information: energy levels and wave functions. Spin-orbit coupling: LS and jj coupling. Relativistic and QED-related effects. Transitions. The electric dipole approximation. Quantum numbers and selection rules.

Angular momentum and addition of angular momentum. Radiationless transitions. Einstein coefficients, LASER.

Basis for quantum atomic calculations: the Coulomb and exchange integrals, the ground state, excited states, wave functions and their symmetry. Optical and electronic spectra.

Molecular quantum mechanics and symmetry: molecular symmetry and motion; symmetries and symmetry operations. Point groups. Group theory. Representations. Analysis of molecular motion.

H₂⁺, H₂, and C₆H₆ as prototypical molecular systems; chemical bonding; the LCAO-MO approximation.

Symmetry-adapted molecular orbitals. Electronic states and electron correlation. Rotations and vibrations, including symmetry analysis. Potential energy curves. Transitions between different states.

Molecular spectra: the Born-Oppenheimer approximation and the Franck-Condon principle. Electronic spectra. Interaction with electromagnetic radiation.

The LCAO-MO approximation for extremely large systems, polymers: the transition to solid-state physics.

Quantum chemical and quantum physical calculations of atomic and molecular orbitals using open-source software.

Instruction

Lectures, tutorials or student presentations, laboratory work and demonstrations of research instrumentation.

Assessment

Oral (2 credits) and written (2 credits) examination. Hand in assignments that are presented by the students (1 credit).

If there are special reasons for doing so, an examiner may make an exception from the assessment method indicated and allow a student to be assessed by another method. An example of special reasons might be a certificate regarding special pedagogical support from the disability coordinator of the university.