Basic concepts and methods of quantum chemistry, selected applications using quantum chemistry software packages. The emphasis will be placed, in line with the focus of the particular thesis, either on methods or their numerical applications.
Literature
[1] F. L. Pilar, Elementary Quantum Chemistry, 2nd Ed., McGraw Hill, New York 1990.
Advised literature
[2] P. Fong, Elelmentary Quantum Mechanics, World Scientific Publishing Company, 2005.
[3] J. B. Foresman, A E. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc., Pittsburgh 2000.
[4] Ed. J. Grotendorst, Modern Methods and Algorithms of Quantum Chemistry, vol. 3, Juelich: NIC Series 2000 (http://www2.fz-juelich.de/nic-series/Volume1/Volume1.html).
[5] manuály vybraných kvantově-chemických balíků