Dichtefunktionaltheorie
Instructors: Dr. Konstantin GaulCourse No.: 08.128.7036
Course Type: Vorlesung
Requirements / organisational issues
This lecture will be adjusted to the specific interest of participating students. There are no specific requirements.If you have questions regarding the lecture please contact konstantin.gaul@uni-mainz.de.
Recommended reading list
R. G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules Oxford Academic, 2020.Eberhard Engel und Reiner M. Dreizler, Density Functional Theory: An Advanced Course, Springer Berlin, Heidelberg, 2011.
W. Koch, M. C. Holthausen, A Chemist's guide to density functional theory, Wiley-VCH, 2001.
Contents
In this course the description of the quantum many body problem via density functional theory (DFT) will be discussed.Students who participated in the lecture will become familiar with the key theorems, assumptions and approximations of DFT, and learn how to apply them to modern problems in nucelar, solid state, atomic, and molecular physics.
This class will among others cover following topics:
1. Thomas-Fermi model
2. Hohenberg-Kohn theorems
3. Gradient expansion of the energy functional
4. Spin-density functional theory and relativistic formulation (Rajagopal-Callaway theorem)
5. Kohn-Sham method and relation to Hartree-Fock
6. Common approximations
7. Advanced Topics (current density, non-collienar spins, excited states [runge-gross theorem and time-dependent DFT])
Dates
| Date (Day of the week) | Time | Location |
|---|---|---|
| 04/16/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 04/23/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 04/30/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 05/07/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 05/21/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 05/28/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 06/11/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 06/18/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 06/25/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 07/02/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |
| 07/09/2026 (Thursday) | 10:15 - 11:45 | 01 231 Seminarraum E 2413 - Neubau Physik/Mathematik |