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Quantum chemistry

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.


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