Physical chemistry III
FCH-MCA_FCH3Acad. year: 2017/2018
Basic conceptions of quantum mechanics, operators, wave functions end eigen values, Heisenberg´s principle of uncertainty and its impacts.
Simple quantum mechanic models (particle in one and three dimensional potential hole, harmonic oscillator, rigid rotator, hydrogen atom).
Chemical bound, Born-Oppenheimer approximation, hydrogen molecular ion, LCAO-MO approximation, hybridization and localization of bounds, VSEPR method, molecular orbitals in solids.
Learning outcomes of the course unit
Student will obtain practical knowledge necessary for the application of the quantum mechanics apparatus. He will be friendly with micro and macrosystems behaviour based on the solution of electronic strucure of the atoms and molecules solved by the quantum mechanics basic principles.
Basic mathematics - diferentials and integrals
Basic physics - mass point motion, electrostatic field
Recommended optional programme components
Recommended or required reading
Zahradník R., Polák R.: Základy kvantové chemie. SNTL, Praha 1985. (CS)
Atkins P. W.: Physical Chemistry. Oxford University Press, Oxford 2006. (CS)
Atkins P. W., Friedman R.: Molecular Quantum Mechanics. Oxford University Press, Oxford 2005. (CS)
Pelikán P., Lapčík L., Zmeškal O., Krčma F.: Fyzikální chemie, Struktura hmoty. VUTIUM Brno, Brno 2000. (CS)
Planned learning activities and teaching methods
The course uses teaching methods in form of Lecture - 2 teaching hours per week, Seminar - 2 teaching hours per week. The e-learning system (LMS Moodle) is available to teachers and students.
Assesment methods and criteria linked to learning outcomes
Written test contains 7 basic quantum mechanics problems as well as the applications. The overview through whole quantum mechanics fundaments is a subject of the spoken part of examen, especially with respect to the causal connections.
Language of instruction
1. Quantum mechanics necessity. Black body radiation. Caloric capacity of solids. Photoelectric phenomenon. Compton phenomenon. Stability of atoms and electronic spectra interpretation. Spectral lines splitting in the electric and magnetic fields.
2. Elementary basis of the quantum mechanics. Operators and their characteristic values.
3. Quantum mechanics postulates. Heisenberg principle of uncertainty.
4. Simple quantum mechanic systems. Particle in the potential hollow. Tunnel effect.
5. Linear harmonic oscillator.
6. Spherical coordinate system. Rigid rotator.
7. Hydrogen atom.
8. Moment of movement in the quantum mechanics and its properties.
9. Orbital and spin moments. Combining of the moments.
10. Electronic structure of atoms. Many particle problem in quantum mechanics. Permutation operators. Slater determinant. Pauli's exclusion principle. Electronic configuration of atoms and atomic terms.
11. Chemical bound. H2+ molecular ion. Heilter-London model of H2 molecule.
12. Born-Oppenheimer approximation. Molecular orbitals. LCAO MO approximation. Localized and delocalized molecular orbitals. Hybridization.
13. VSEPR method and molecular geometry. Crystal field theory. Chemical bound in solids. Semi empiric methods of molecular orbitals.
The course gives the basic knowledge of processes in microcosm and their reflection observable in the material structure. The second part is focused on the microcosm reflections in macroscopic systems.
Specification of controlled education, way of implementation and compensation for absences
Classification of course in study plans
- Programme NPCP_SCH Master's
branch NPCO_SCH , 1. year of study, winter semester, 6 credits, compulsory
- Programme NKCP_SCH Master's
branch NKCO_SCH , 1. year of study, winter semester, 6 credits, compulsory
- Programme CKCP_CZV lifelong learning
branch CKCO_CZV , 1. year of study, winter semester, 6 credits, compulsory