Quantum Chemistry (CM-QC)10 ECTS (englische Bezeichnung: Quantum Chemistry)
Modulverantwortliche/r: Andreas Görling Lehrende:
Andreas Görling, Christian Neiß
Start semester: |
WS 2021/2022 | Duration: |
2 semester | Cycle: |
jährlich (WS) |
Präsenzzeit: |
90 Std. | Eigenstudium: |
210 Std. | Language: |
Englisch |
Lectures:
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- Quantum Chemistry - WS:
Winter Term:
1. Quantum Chemistry 1 (2V)
2. Quantum Chemistry 1 Seminar (1S)
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Quantum Chemistry 1 (WS 2021/2022)
(Vorlesung mit Übung, Andreas Görling et al., Tue, 10:00 - 11:00, H2 Egerlandstr.3, (außer Tue 2.11.2021); Tue, 8:15 - 10:00, H2 Egerlandstr.3; block seminar 19.10.2021-26.10.2021 Tue, 8:15 - 9:45, P 3.88; single appointment on 2.11.2021, 11:30 - 12:30, H2 Egerlandstr.3)
- Quantum Chemistry - SS:
Summer Term:
3. Quantum Chemistry 2 (2V)
4. Quantum Chemistry 2 Seminar (1S)
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Quantum Chemistry 2 (SS 2022)
(Vorlesung mit Übung, 3 SWS, Andreas Görling, Tue, 14:15 - 16:45, P 3.88)
Empfohlene Voraussetzungen:
Required Qualifications:
good knowledge of basic quantum mechanics: axioms of QM, application to simple systems (particle in a box, harmonic oscillator, rigid rotator)
good knowledge in mathematics: differential calculus of functions of several variables, basic linear algebra
Inhalt:
- Introduction to modern methods and current research issues in the field of quantum and computer chemistry
Hartree-Fock, DFT, Many Body Perturbation Theory
Configuration Interaction, Second Quantization, Coupled Cluster
TD-HF, TD-DFT, RPA
Lernziele und Kompetenzen:
Students ...
obtain sound knowledge in basic and advanced methods of quantum chemistry
are able to solve mathematical problems occurring in quantum chemistry
are able to understand and assess scientific reports in the field of quantum chemistry
Literatur:
- Attila Szabo, Neil S. Ostlund: Modern Quantum Chemistry, Dover 1996
Frank Jensen: Introduction to Computational Chemistry, Wiley 2017 (3rd ed.)
Ira N. Levine: Quantum Chemistry, Pearson 2016 (7th ed.)
Bemerkung:
Module compatibility:
Lecture module within the Core module „Quantum Chemistry“ in M. Sc. Chemistry (students of M.Sc. Chemistry have to choose 2 Core Modules out of 4: Inorganic, Organic, Physical and Quantum Chemistry)
Lecture module within the Compulsory Elective Module in M.Sc. Chemistry (if not chosen as Core module) or M. Sc. Molecular Science
Organisatorisches:
Weitere Informationen:
www: https://www.studon.fau.de/crs3274705.html
Studien-/Prüfungsleistungen:
Quantum Chemistry (Prüfungsnummer: 65071)
- Prüfungsleistung, mündliche Prüfung, Dauer (in Minuten): 30, benotet, 10 ECTS
- Anteil an der Berechnung der Modulnote: 100.0 %
- weitere Erläuterungen:
O30 (PL): Oral Examination (30 minutes) or alternative examination according to FAU Corona Statutes!
- Prüfungssprache: Englisch
- Erstablegung: SS 2022, 1. Wdh.: WS 2022/2023
1. Prüfer: | Andreas Görling |
- Ort: P 3.88 (Egerlandstr. 3)
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