SubjectsSubjects(version: 941)
Course, academic year 2019/2020
Quantum Mechanics in Chemistry: Advanced Course - M403020
Title: Kvantová mechanika v chemii: Pokročilý kurz
Guaranteed by: Department of Physical Chemistry (403)
Faculty: Faculty of Chemical Engineering
Actual: from 2019
Semester: winter
Points: winter s.:5
E-Credits: winter s.:5
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, C+Ex [HT]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Slavíček Petr prof. RNDr. Bc. Ph.D.
Interchangeability : N403043
Examination dates   Schedule   
This subject contains the following additional online materials
Annotation -
Last update: Kubová Petra Ing. (29.01.2018)
This course covers advanced topics of quantum mechanics which are typically not involved in the basic physics courses. The goal is to introduce the students with terminology, techniques and methods of quantum mechanics with the emphasis on the chemical applications.
Aim of the course -
Last update: Kubová Petra Ing. (29.01.2018)

The student will be able to:

  • understand formalism of quantum theory
  • actively follow primary literature in theoretical chemistry
  • analyze molecular experiments in time and energy domains

Literature -
Last update: Kubová Petra Ing. (29.01.2018)

R: E. Bittner: Quantum dynamics: applications in biological and materials systems. CRC press, 2009, 1420080539.

R: P. W. Atkins, R. R. Friedman: Molecular Quantum Mechanics, Oxford University Press, Oxford 2010, 0199541426.

Learning resources -
Last update: Řehák Karel doc. Ing. CSc. (19.02.2018)

Syllabus -
Last update: Kubová Petra Ing. (29.01.2018)

1. Origin of quantum mechanics.

2. Postulates of quantum mechanics I: Probability amplitude, superposition principle

3. Postulates of quantum mechanics II: Measurables

4. Postulates of quantum mechanics III: Time evolution

5. Mathematics of quantum mechanics

6. Uncertainty relation

7. Properties of wavepacket

8. Matrix formulation

9. Time-independent perturbation theory

10. Time-dependent perturbation theory

11. Spectroscopy in time domain

12. Semi-classical mechanics

13. Non-adiabatic dynamics

14. Numerical solution of time dependent Schroedinger equation

Registration requirements -
Last update: Kubová Petra Ing. (29.01.2018)

Physical Chemistry I, Mathematics I

Course completion requirements -
Last update: Řehák Karel doc. Ing. CSc. (02.03.2018)

Elaboration of an individual project.

Oral exam

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0.5 14
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 0.5 14
Práce na individuálním projektu 1 28
Příprava na zkoušku a její absolvování 1.5 42
Účast na seminářích 0.5 14
5 / 5 140 / 140
Coursework assessment
Form Significance
Defense of an individual project 40
Oral examination 60