270055 VO+UE Materials chemistry I (2016W)

Chemical bonding amd materials chemistry

Continuous assessment of course work

Moodle

Registration/Deregistration

Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).

Registration is open from We 22.06.2016 08:00 to Fr 14.10.2016 23:59
Deregistration possible until Fr 14.10.2016 23:59

Details

max. 50 participants

Language: German

Lecturers

Classes

First meeting: Thursday, October 13, 2016, 9h30
Institute of Theoretical Chemistry, Währinger Str. 17, Room 203/204 (PC-Pool), 2nd floor

Information

Aims, contents and method of the course

1. Mathematical Background: Dirac notation, Observables, Operators

2. Crystal Structures and Symmetry (Point Groups, Space groups)
2.1. Molecular point groups (Symmetry point group/elements, point groups)

2.2. Crystal structure and lattices
2.3. Space groups
2.4. Reciprocal grid, Quasi crystals

3. Quantum mechanics for solid state (Block functions, tight binding, band structure, electron gas)
3.1. Schrödinger equation for periodic potentials, Bloch functions, Band structure part I
3.2. Hückel/Tight Binding theory
3.3. Electron gas – Band structure part II

4. Molecular structure theory
4.1. B-O, variational principle, Hartree-Fock theory

5. Density functional theory (DFT)
5.1 Introduction, Thomas-Fermi model
5.2 Spin density, functionals, plane wave DFT

Assessment and permitted materials

Oral Examination

Minimum requirements and assessment criteria

Einführung in die Symmetrie und Quantenmechanik von Festkörpern

Examination topics

Reading list

Textbooks on quantum mechanics, symmetry and solid state physics

Association in the course directory

PC-4, D.4, MC-3, D.3

Last modified: Mo 07.09.2020 15:41