9360-0130/02 – Introduction to Quantum Physic and Chemistry Theory (KFCH)

Gurantor departmentCNT - Nanotechnology CentreCredits5
Subject guarantorprof. Ing. Jana Seidlerová, CSc.Subject version guarantorprof. Ing. Jana Seidlerová, CSc.
Study levelundergraduate or graduateRequirementCompulsory
Year3Semesterwinter
Study languageCzech
Year of introduction2019/2020Year of cancellation
Intended for the facultiesFMTIntended for study typesBachelor
Instruction secured by
LoginNameTuitorTeacher 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 studyWay of compl.Extent
Full-time Credit and Examination 3+1

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:

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.

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

Full-time form (validity from: 2019/2020 Winter semester)
Task nameType of taskMax. 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
Mandatory attendence parzicipation: Participation in seminars (80%) and passing all tests at specified dates.

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType 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

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner