2020240057 Theoretische Chemie
Digital- & Präsenz-basierter Kurs
- classroom language
- DE
- aims
- The students will obtain a basic understanding of important methods in theoretical chemistry and their underlying physics.
- structure / topics / contents
- Mathematical baiscs, e.g.:
- Linear algebra
- Operators in vector- and function-spaces
- Constrained optimizations
- Numerical methods
Grundlagen der Theoretischen Chemie, u. a.:
- Quantum mechanics of many-electron systems
- Pauli-principle and the electron spin
- Hartree-Fock approximation
- Self-Consistent Field algorithm
- electron correlation
- Density functional theory
- Kohn-Sham Ansatz and Jacob's ladder
- assigned modules
-
27/WPT1
27/WPT1/UeWP4
UeWP Ch
- amount, credit points; Exam / major course assessment
- 0 SWS, 0 SP/ECTS (Arbeitsanteil im Modul für diese Lehrveranstaltung, nicht verbindlich)
Written exam (90 min.) or oral exam (45 min.) as well as scientific talk (15-30 min.).
- other
- Die Termine für Seminar und Praktikum werden zu Beginn des Semesters in Absprache mit den Teilnehmer:innen festgelegt.
- contact
- Michael Römelt (Emil-Fischer Haus, Kamm C, Raum 3.303)