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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
State of the course:	taught
Language:	Czech
Teaching methods:	full-time
Level:
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

Annotation -

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.

Last update: Kubová Petra (29.01.2018)

Course completion requirements -

Elaboration of an individual project.

Oral exam

Last update: Řehák Karel (02.03.2018)

Literature -

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.

Last update: Kubová Petra (29.01.2018)

Syllabus -

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

Last update: Kubová Petra (29.01.2018)

Learning resources -

https://ufch.vscht.cz/studium/bc/teoreticka_chemie

Last update: Řehák Karel (19.02.2018)

Learning outcomes -

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

Last update: Kubová Petra (29.01.2018)

Registration requirements -

Physical Chemistry I, Mathematics I

Last update: Kubová Petra (29.01.2018)

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