Course: Quantum Chemistry

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Course title Quantum Chemistry
Course code KFC/PGSKV
Organizational form of instruction Lecture
Level of course Doctoral
Year of study not specified
Semester Winter and summer
Number of ECTS credits 20
Language of instruction Czech, English
Status of course Compulsory-optional
Form of instruction Face-to-face
Work placements This is not an internship
Recommended optional programme components None
Lecturer(s)
  • Berka Karel, prof. RNDr. Ph.D.
  • Hobza Pavel, prof. Ing. DrSc.
Course content
Planck relation and Einstein relation for the energy of photon and Broglie relation for impulse. Rutherford and Bohr model of atom. Broglie monochromatic wave, rules for operators formation, and formalism of quantum mechanics. Schrodinger equation. Mono-dimensional and three-dimensional potential pit. Movement of the electron in the field of central force (hydrogen atom). More-electron atoms (building - up principle, quantum numbers, electron correlation, configuration interactions). Molecule ion H2+. Biatomic molecules, correlation diagrams, oxygen molecule, electron structure and reactive forms of oxygen. Electron structure of larger molecules.

Learning activities and teaching methods
Dialogic Lecture (Discussion, Dialog, Brainstorming)
  • Preparation for the Exam - 0 hours per semester
Learning outcomes
The lectures are focused on advanced Quantum chemistry.
ability to associate information, explain main aspects of quantum chemistry
Prerequisites
unspecified

Assessment methods and criteria
Oral exam

Recommended literature
  • Fischer O., Fišer J., Kišová L., Mollin J., Zemánek F. (1980). Fyzikální chemie I. SPN, Praha.
  • Lasovský J. Chemická struktura I (společný základ).
  • Lasovský J. Chemická struktura II (molekulárná spektroskopie).
  • Moore W. J. (1979). Fyzikální chemie. SNTL, Praha.
  • Polák R., Zahradník R. (1989). Kvantová chemie. Academia, Praha.
  • Skála J. (1998). Kvantová teorie molekul. Karolinum, Praha.
  • Zahradník R., Polák R. (1976). Základy kvantové chemie.. SNTL, Praha.


Study plans that include the course
Faculty Study plan (Version) Category of Branch/Specialization Recommended year of study Recommended semester