Quantum Chemistry I (QuantCh-1)5 ECTS
(englische Bezeichnung: Quantum Chemistry I)
(Prüfungsordnungsmodul: Quantum Chemistry 2)

Lehrveranstaltungen:

• • Quantum Chemistry 1
    (Vorlesung mit Übung, Andreas Görling et al., Di, 10:00 - 11:00, H2 Egerlandstr.3, (außer Di 2.11.2021); Di, 8:15 - 10:00, H2 Egerlandstr.3; Blockveranstaltung 19.10.2021-26.10.2021 Di, 8:15 - 9:45, P 3.88; Einzeltermin am 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:

Studien-/Prüfungsleistungen: