Quantum Mechanics and Chemical Bonding I
Syllabus, Bachelor's level, 1KB501
- Code
- 1KB501
- Education cycle
- First cycle
- Main field(s) of study and in-depth level
- Chemistry G1F, Technology G1F
- Grading system
- Fail (U), Pass (3), Pass with credit (4), Pass with distinction (5)
- Finalised by
- The Faculty Board of Science and Technology, 27 April 2012
- Responsible department
- Department of Chemistry - Ångström
Entry requirements
Participation in Linear Algebra, Single and Multivariable Analysis, Basic Mechanics.
Learning outcomes
After completing the course, the student should be able to:
- account for the basic principles and concepts of quantum mechanics
- solve the Schrödinger equation for model systems of significance to molecular physics and chemistry
- describe the chemical bonding quantum mechanically with molecular orbital theory
- give examples of applications of quantum mechanics within technique and society
Content
Quantum mechanics relevance within chemistry. The formalism of quantum mechanics. Wave particle dualism. The Schrödinger equation, wave functions and the probability interpretation. Heisenberg's uncertainty relation. Particle in a box. Molecular vibrations and the harmonic oscillator. Angular momentum and spin. The hydrogen atom. Atomic orbitals. The periodic system. Perturbation theory and the variational method. Atomic properties. The Hartree-Fock method. Spinn-orbitcoupling. Therm symbols. Hund's rules. The Born-Oppenheimer approximation. Molecular orbitals. Diatomic molecules. The application of quantum mechanics in industry and society.
Instruction
Lectures, lessons and laboratory sessions.
Assessment
Written examination is organised at the end of the course and/or during the course and correspond 4 credits The laboratory sessions correspond to 1 credit.