From 2 November 2020, the autumn semester 2020 will take place online. Exceptions: Courses that can only be carried out with on-site presence. Please note the information provided by the lecturers via e-mail.

529-0431-00L  Physical Chemistry III: Molecular Quantum Mechanics

SemesterSpring Semester 2016
LecturersB. H. Meier, M. Ernst
Periodicityyearly recurring course
Language of instructionGerman


AbstractPostulates of quantum mechanics, operator algebra, Schrödinger's equation, state functions and expectation values, matrix representation of operators, particle in a box, tunneling, harmonic oscillator, molecular vibrations, angular momentum and spin, generalised Pauli principle, perturbation theory, electronic structure of atoms and molecules, Born-Oppenheimer approximation.
ObjectiveThis is an introductory course in quantum mechanics. The course starts with an overview of the fundamental concepts of quantum mechanics and introduces the mathematical formalism. The postulates and theorems of quantum mechanics are discussed in the context of experimental and numerical determination of physical quantities. The course develops the tools necessary for the understanding and calculation of elementary quantum phenomena in atoms and molecules.
ContentPostulates and theorems of quantum mechanics: operator algebra, Schrödinger's equation, state functions and expectation values. Linear motions: free particles, particle in a box, quantum mechanical tunneling, the harmonic oscillator and molecular vibrations. Angular momentum: electronic spin and orbital motion, molecular rotations. Electronic structure of atoms and molecules: the Pauli principle, angular momentum coupling, the Born-Oppenheimer approximation. Variational principle and perturbation theory. Discussion of bigger systems (solids, nano-structures).
Lecture notesA script written in German will be distributed. The script is, however, no replacement for personal notes during the lecture and does not cover all aspects discussed.