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 2010
- Responsible department
- Department of Chemistry - Ångström
Entry requirements
Linear Algebra, One - and multivariable analysis, Mechanics I.
Learning outcomes
After completing the course, the student should be able to:
- apply the basic principles and concept of quantum mechanics on model problems of chemical relevance .
- solve the Schrödinger equation for simple model systems of significance to molecular physics and chemistry.
- give examples of applications of quantum mechanics within technique and society.
Content
Quantum mechanics relevance within chemistry. Wave particle dualism .. The Schrödinger equation, wave functions and the probability interpretation. The formalism of quantum mechanics. Heisenberg's uncertainty relation. Tunnling in chemical systems. The free electron model and particle in box. Molecular vibrations and the harmonic oscillator. Angular momentum and spin. Hydrogen atom. Atomic orbitals The periodic system. Perturbation theory and the variational method. Atomic properties, Hartree-Fock equations . Spinn-bankopling . Thermo symbols. Hund's rules. The Born-Oppenheimer approximation. Molecular orbitals. Diatomic molecules. The application in industry and society of quantum mechanics.
Instruction
Lectures, lessons, experimental and computer-based laboratory sessions.
Assessment
Written examination is organised at the end of the course and/or during the course and correspond 4 HE credits The laboratory sessions correspond to 1 HE credit.