Students obtain a basic knowledge of molecular quantum mechanics (QM) and molecular symmetry groups, especially; they should understand the basic difference between the QM and classical mechanics and the difference between their diverse insights to description of the nature. The diverse views are discussed above all in context with the concepts as stationary states, localization and delocalization particles (mass), wavefunctions, eigenvalues, wave packet, Pauli principle, the Franck-Condon phenomenon, space degeneracy, partition functions, weak and hyperfine interaction etc.

R: P. W. Atkins and R.Friedman: Molecular quantum mechanics (4. edition), Oxford University press, Oxford 2007, ISBN 978-0-19-92498-7

R: W. Demtroeder:Molecular Physics,Wiley-VCh,2005, Weinheim, ISBN 3-527-40566-6

R: P.R. Bunker, P. Jensen: Fundamentals of Molecular Symmetry, IOP Publishing, 2004, ISBN 0750309415

A: P. W. Atkins: Physical Chemistry, Oxford University press, 2006, ISBN 1-4292-3127-0

Materiály v elektronické formě studenti dostávají během výuky.

Electronic presentations and textbooks are provided to students during tutorial.

1. Mikro a makrosvět / klasická a kvantová mechanika. Problémy vědy a objevy na přelomu19. a 20. století

2. Planck, Ritz, Einstein, Bohr, deBroglie,Heisenberg, Schrodinger : principy a postuláty kvantové mechaniky,

3. Volná částice a částice v potenciální jámě, kvantování. Více rozměrná jáma a prostorová degenerace.

4. Tunelový jev, harmonický oscilátor, diatomická molekula a Morseho oscilátor, disociační konstanty molekul.

5. Molekulová symetrie, bodové grupy, reprezentace grup, permutačně inverzní grupy.

6. Irreducibilní a reducibilní reprezentace, direktní součet a součin reprezentací.

7. Praktické výpočty. Aplikace symetrie.

8. Symetrie a Pauliho princip. Jemné a hyperjemné interakce. Spinové statistické váhy.

9. Boltzmanova statistika, kvantové statistiky.

10. Moment hybnosti v kvantové mechanice a spin, rotace molekul , elektron na orbitě, atom vodíku.

11. Víceelektronové atomy, periodický systém , Elektronová konfigurace, Hundovy pravidla. Od kvantové mechaniky k chemii, Bornovo a Oppenheimerovo a další zjednodušení.

12. Kvantová chemie, základy chemické vazby, vazebné a antivazebné orbitaly.

13. Pevnost vazby v molekule, mezi-molekulové síly. Magnetické a elektrické vlastnosti molekul.

14. Kvantové statistiky, molekulová partiční funkce,termodynamika a molekulární kvantová mechanika. Rovnovážné konstanty.

1. Micro and macro world / classical and quantum mechanics. Challenges and discovers of science at the turn of 19th and 20th century.

2. Planck, Ritz, Einstein, Bohr, deBroglie, Heisenberg, Schrodinger, principles and postulates of quantum mechanics

3. Free particle and particle in potential well, quantum levels. Multidimensional well and quantum degeneration. The wave packet.

4. Tunnel effect, harmonic oscillator, diatomic molecule and Morsey oscillator, dissociation constants of molecules.

5. Point and permutation inversion groups. Representations of the groups.

6. Reducible and irreducible representation, practical calculations. Direct sum and product of irreducible representations.

7. Characters of the representation. Symmetry application.

8. Symmetry and the Pauli principle. Spin statistics weights.

9. Boltzmano statistic, quantum statistics

10. Movement moment in quantum mechanics and spin, rotation of molecules, electron at his orbit, hydrogen atom.

11. Multielectron atoms, periodic system. Electron configuration, Hund rules. From quantum mechanics to chemistry. Born, Oppenheimer and other simplifications.

12. Quantum chemistry, basics of chemical bond, bonding and anti-bonding orbitals.

13. Molecule bond strength, inter-molecular forces.

14. Movement of nuclei, rotation, vibration, molecular spectra, molecule partition function. Thermodynamics and molecular quantum mechanics. Equilibrium constants

Mathematics I, Physics I, Physical Chemistry I