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Quantum Chemistry I (QuantCh-1)5 ECTS
(englische Bezeichnung: Quantum Chemistry I)
(Prüfungsordnungsmodul: Quantum Chemistry 1)

Modulverantwortliche/r: Andreas Görling
Lehrende: Andreas Görling

Start semester: WS 2021/2022Duration: 1 semesterCycle: jährlich (WS)
Präsenzzeit: 45 Std.Eigenstudium: 105 Std.Language: Englisch

Lectures:

    • Quantum Chemistry 1
      (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)

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, linear algebra

Inhalt:

  • Mathematical concepts and current research issues in the field of quantum and computer chemistry

  • Hartree-Fock, DFT

Lernziele und Kompetenzen:

Students ...

  • obtain sound knowledge in basic 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:

  • as Elective Module in M.Sc. Chemistry or M. Sc. Molecular Science (5 ECTS, not graded)

Organisatorisches:

  • The elective module "Quantum Chemistry I" will be taught only in winter term!

  • Students have to register for this module (check registration periods)!

  • Registration/further information via StudOn!

Weitere Informationen:

www: https://www.studon.fau.de/crs3274705.html

Verwendbarkeit des Moduls / Einpassung in den Musterstudienplan:

  1. Molecular Science (Master of Science): ab 1. Semester
    (Po-Vers. 2020w | NatFak | Molecular Science (Master of Science) | Elective modules | Quantum Chemistry 1)
Dieses Modul ist daneben auch in den Studienfächern "Chemistry (Master of Science)", "Data Science (Master of Science)" verwendbar. Details

Studien-/Prüfungsleistungen:

Quantum Chemistry 1 (Prüfungsnummer: 65591)
Prüfungsleistung, mündliche Prüfung, Dauer (in Minuten): 20, benotet, 5 ECTS
Anteil an der Berechnung der Modulnote: 100.0 %
weitere Erläuterungen:
O20 (PL): Oral Examination (20 minutes, not graded: pass/fail) or alternative examination according to FAU Corona Statutes!
Prüfungssprache: Englisch

Erstablegung: WS 2021/2022, 1. Wdh.: WS 2021/2022
1. Prüfer: Andreas Görling
Ort: P 3.88 (Egerlandstr. 3)

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