9360-0130/04 – Introduction to Quantum Physic and Chemistry Theory (KFCH)
| Gurantor department | CNT - Nanotechnology Centre | Credits | 6 |
| Subject guarantor | prof. Ing. Jana Seidlerová, CSc. | Subject version guarantor | prof. Ing. Jana Seidlerová, CSc. |
| Study level | undergraduate or graduate | Requirement | Compulsory |
| Year | 3 | Semester | winter |
| | Study language | English |
| Year of introduction | 2019/2020 | Year of cancellation | |
| Intended for the faculties | FMT | Intended for study types | Bachelor |
Subject aims expressed by acquired skills and competences
To acquaint the student with the fundamentals of the quantum physics and chemistry theory. To clarify the behaviour of the elementary particles and atoms and explain the nature of the chemical bond from the point of view of the quantum theory. After the completion of the course, the student can work with basic operators, is able to define the process of energy calculation of the multi-electron atoms and molecules. Student is also able to explain the fundamentals of the electron and molecular spectra.
Teaching methods
Lectures
Tutorials
Project work
Summary
Předmět navazuje na znalosti studenta ze základních bakalářských kurzů matematiky, fyziky a chemie. Jeho cílem je seznámit studenty se základy nerelativistické kvantové fyziky a chemie a důležitými aplikacemi.
Compulsory literature:
Recommended literature:
SAKURAI, J. J.: Modern Quantum mechanics, Benjamin/Cummings, Calif. 1985.
MERZBACHER, E.: Quantum mechanics, Wiley, New York 1970.
MERZBACHER, E.: Quantum mechanics, John Wiley & Sons, NY, 1998. ISBN.
Way of continuous check of knowledge in the course of semester
Written and oral.
E-learning
Other requirements
There are no further requirements for the student.
Prerequisities
Subject has no prerequisities.
Co-requisities
Subject has no co-requisities.
Subject syllabus:
Quantum Physics
- Introduction, historical context, new theory. The postulates of quantum mechanics,
Schrödinger equation.
- Mathematics - operators, hermiteovské linear operators, variables, measurability.
- Free particle, wave balls principle of uncertainty
- Models of applications stationary Schrödinger equation.
- Harmonic oscillator in a coordinate and Fock representation.
- The atom of hydrogen, the Pauli principle. Atoms with more electrons.
- Interpretation of quantum mechanics.
Quantum Chemistry
- Multi electron atoms, interactions in a multi-electron atom. Spin-orbital interactions. The Vector model of the atom. Structure of the spectral terms.
- Schrödinger equation, Hamiltonian and wave function of multi electron atoms. Wave Function Design. Atom of helium. Basic approximation in chemical bond theory
- Approximate methods of solving the Schrödinger equation. The Perturbation Theory and the Variation method of calculation. Calculation of energy value and wavelength development coefficients.
- Establishment of chemical bond, conditions of origin and description of chemical bond. Weaknesses of classical theories of chemical bond. Access to quantum chemistry. Molecular Schrödinger equation, Hamiltonian shape and wave functions of molecule.
- Basic approximations in chemical bond theory. Theory of resonance and its consequences. The theory of valency bonds. Examples of applications on specific compounds.
- The theory of hybridization and creation of wave functions of individual orbits. Examples. The theory of linear combination of atomic orbits. Basic elements of symmetry and their significance in quantum chemistry of chemical bonds.
- Molecule as a solid rotor, harmonic and anharmonic oscillator, description and consequences of solution, vibrational and rotational quantum numbers. The practical significance of quantum chemistry.
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
Předmět neobsahuje žádné hodnocení.