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Quantum chemistry

Language of instruction angličtina, čeština
Code 470-8748
Abbreviation KVCH
Course title Quantum chemistry
Coordinating department Department of Applied Mathematics
Course coordinator prof. RNDr. René Kalus, Ph.D.

Summary

Within the course, students will learn basics of quantum chemistry and the use of quantum chemical methods in modelings of intra- and intermolecular interactions. In addition, they will acquire basic experience with available quantum chemistry codes.

Literature

1. Atkins, P., Friedman, R., Molecular Quantum Mechanics, Oxford University Press, Oxford 2005, ISBN 0-19-927498-3 .

Advised literature

1. Pilar, F. L., Elementary Quantum Chemistry, McGraw-Hill, New York 1990, ISBN 978-007-050-093-8 
2. Fong, P. Elementary Quantum Mechanics, World Scientific, Singapore 2005, ISBN: 978-981-256-292-0 
3. online manuals for selected quantum chemistry packages.