Gurantor department | CNT - Nanotechnology Centre | Credits | 5 |

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 | Czech | ||

Year of introduction | 2019/2020 | Year of cancellation | |

Intended for the faculties | FMT | Intended for study types | Bachelor |

Instruction secured by | |||
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Login | Name | Tuitor | Teacher giving lectures |

ALE02 | Doc. Dr. RNDr. Petr Alexa | ||

KAL0063 | prof. RNDr. René Kalus, Ph.D. | ||

SEI40 | prof. Ing. Jana Seidlerová, CSc. | ||

VIT0060 | Mgr. Aleš Vítek, Ph.D. |

Extent of instruction for forms of study | ||
---|---|---|

Form of study | Way of compl. | Extent |

Full-time | Credit and Examination | 3+1 |

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.

Lectures

Tutorials

Project work

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.

HOUSE, J., E.: Fundamentals of Quantum Chemistry, Elsevier, 2004. ISBN: 0123567718.
AZABO, A., OSTLUND, N.S.: Modern Quantum chemistry, Dover Publications, INC, Mineola, New York, 1989.
D. A. McQuarrie, J. D. Simon, Physical chemistry: a molecular approach, University Science Books, 1997. ISBN: 978-0-935702-99-6.

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.

Written and oral.

There are no further requirements for the student.

Subject has no prerequisities.

Subject has no co-requisities.

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.

Task name | Type of task | Max. number of points
(act. for subtasks) | Min. number of points |
---|---|---|---|

Credit and Examination | Credit and Examination | 100 (100) | 51 |

Credit | Credit | 40 | 21 |

Examination | Examination | 60 | 30 |

Show history

Academic year | Programme | Field of study | Spec. | Zaměření | Form | Study language | Tut. centre | Year | W | S | Type of duty | |
---|---|---|---|---|---|---|---|---|---|---|---|---|

2021/2022 | (B0719A270001) Nanotechnology | P | Czech | Ostrava | 3 | Compulsory | study plan | |||||

2020/2021 | (B0719A270001) Nanotechnology | P | Czech | Ostrava | 3 | Compulsory | study plan | |||||

2019/2020 | (B0719A270001) Nanotechnology | P | Czech | Ostrava | 3 | Compulsory | study plan |

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