| Course title | Quantum Chemistry |
|---|---|
| Course code | KFC/QCH |
| Organizational form of instruction | Lecture |
| Level of course | Master |
| Year of study | 3 |
| Semester | Winter |
| Number of ECTS credits | 3 |
| Language of instruction | Czech, English |
| Status of course | Compulsory, Compulsory-optional, Optional |
| Form of instruction | Face-to-face |
| Work placements | This is not an internship |
| Recommended optional programme components | None |
| Course availability | The course is available to visiting students |
| Lecturer(s) |
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| Course content |
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Theoretical concepts and mathematical machinery of quantum mechanics are briefly mentioned. Detailed attention is paid to understanding of applicability, limitations and strengths of the basic and advanced methods of quantum chemistry both in vacuo and in the condensed phase. Wide range of problems is discussed, starting with obligatory Hartree-Fock approximation and basis sets, through the correlation energy, perturbation methods, coupled clusters, methods for excited states and density functional theory, to continuum solvation and QM/MM models. Students will learn basics of operation common QCH software. It is expected that the students have already been taught basics of chemical structure, structure of atom, molecular spectroscopy and calculus. It is also recommended to attend the course of "Molecular modelling".
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| Learning activities and teaching methods |
Monologic Lecture(Interpretation, Training)
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| Learning outcomes |
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This introductory course of quantum chemistry is designed to provide chemists with methods and calculation possibiliting tools and methods used in computational chemistry.
ability to associate information, explain main aspects of the quantum chemistry |
| Prerequisites |
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unspecified
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| Assessment methods and criteria |
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Oral exam
Attendance is not obligatory but is strongly recommended. Examination is oral with a preceding test. |
| Recommended literature |
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| Study plans that include the course |
| Faculty | Study plan (Version) | Category of Branch/Specialization | Recommended semester | |
|---|---|---|---|---|
| Faculty: Faculty of Science | Study plan (Version): Inorganic and Bioinorganic Chemistry - specialization in Inorganic Materials (2021) | Category: Chemistry courses | - | Recommended year of study:-, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Nanomaterial Chemistry (2021) | Category: Chemistry courses | 1 | Recommended year of study:1, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Bioinformatics (2021) | Category: Informatics courses | - | Recommended year of study:-, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Nanomaterial Chemistry (2021) | Category: Chemistry courses | 1 | Recommended year of study:1, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Nanotechnology (2019) | Category: Special and interdisciplinary fields | 3 | Recommended year of study:3, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Analytical Chemistry (2021) | Category: Chemistry courses | 1 | Recommended year of study:1, Recommended semester: Winter |
| Faculty: Faculty of Science | Study plan (Version): Physical Chemistry (2021) | Category: Chemistry courses | 1 | Recommended year of study:1, Recommended semester: Winter |