Atoms, molecules, clusters

physics

Lecture for students interested in details of structure and spectra of atoms and molecules.

Courses required to register for the class: Quantum mechanics I, Introduction to optics and solid state physics (or equivalent lectures)

Classroom

Application of methods of quantum mechanics and group theory for description of energy structure and spectra of atoms and molecules.

Program:

1. Elements of group theory and its connection with quantum mechanics.

2. Hydrogen atom:

a) Schrödinger equation

b) fine structure, Lamb shift.

3. Alkali atoms.

4. Helium atom.

5. Multielectron atoms:

a) independent electron approximation in a central potential

b) atomic terms in L-S and j-j coupling

c) electron configuration and determination of the term manifold

d) Hund rules

e) the periodic table.

6. Rydberg atoms.

7. The Zeeman effect.

8. The Stark effect.

9. Separation of electron and nuclear motion in a molecule, adiabatic and Born-Oppenheimer approximations, potential energy surfaces.

10. Electronic structure of molecules:

a) diatomic molecules, molecular orbitals, orbital energies, electronic states and their energies

b) linear molecules

c) polyatomic molecules: H2O, hydrocarbons, benzene, polyenes

d) clusters.

11. Nuclear motion in molecules - vibrations and rotation:

a) diatomic molecules - vibration of nuclei, rotation of molecules, structure of energy levels of diatomic molecules

b) polyatomic molecules - rotational energy levels, classical treatment of vibrations, normal coordinates, quantum approach, potential surfaces with multiple minima, Coriolis interaction.

12. Molecular spectra:

a) rotational spectra;

b) vibrational spectra (change of vibrational level, rotational structure of vibrational transitions);

c) electronic transitions;

d) relaxation pathways for molecules.

e) Raman spectra.

1. P.W. Atkins, Molecular quantum mechanics.

2. F.A. Cotton, Chemical applications of group theory.

3. A.S. Dawydow, Quantum mechanics (and other textbooks on QM).

4. H. Haken, H.Ch. Wolf, The Physics of Atoms and Quanta.

5. H. Haken, H.Ch. Wolf, Molecular Physics and Elements of Quantum Chemistry.

6. M. Hamermesh, Group theory and its application to physical problems.

7. G.K. Woodgate, Elementary atomic structure.

8. W. Demtröder, Atoms, Molecules and Photons.

(in Polish):

9. W. Kołos, Chemia kwantowa.

10. P. Kowalczyk, Fizyka cząsteczek.

The student will be able to explain and describe structure of atoms and molecules and their interaction with radiation in the language of quantum mechanics.

Expected work load:

Class attendance: 30 h – 1 ECTS

Preparation for the final exam: 60h – 2 ECTS

Final mark based on an oral or written test examination

none