May 19, 2019   12:20 p.m. Gertrúda
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Course syllabus N421K1_4I - Quantum Chemistry (FCFT - SS 2018/2019)

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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: N421K1_4I
Course unit title: Quantum Chemistry
Mode of delivery, planned learning activities and teaching methods:
lecture2 hours weekly (on-site method)
seminar1 hour weekly (on-site method)

Credits allocated: 3
Recommended semester/trimester: Technical Chemistry - master (semi-compulsory), 2. semester
Level of study: 2.
Prerequisites for registration: none
Assesment methods:
The notation is defined by the currently valid study regulations at the Slovak University of Technology in Bratislava.
Learning outcomes of the course unit:
To inform students about basic terms and methods of quantum chemistry of molecular systems.
Course contents:
Molecular Hamiltonian.
Approximative methods of solving Schrödinger equation.
Many-electron wave function.
Independent particle model.
Expansion methods.
Semiempirical and ab initio methods.
Basis functions.
Correlation energy.
Many-body perturbation theory.
Coupled cluster method.
Density functional theory.
Recommended or required reading:
BOČA, R. -- BISKUPIČ, S. Kvantová teória chemickej väzby a chemickej štruktúry. Bratislava: Nakladateľstvo STU, 2011. 341 p. ISBN 978-80-227-3505-6.
ATKINS, P. Fyzikálna chémia. Bratislava: Slovenská technická univerzita v Bratislave, 1999. 334 p.
ATKINS, P W. Physical Chemistry. Oxford : Oxford University Press, 1994. 1031 p. ISBN 0-19-855730-2.
ATKINS, P W. -- TRAPP, C A. Solutions Manual for Physical Chemistry. Oxford : Oxford University Press, 1994. 715 p. ISBN 0-19-855732-9.
ATKINS, P W. -- GOSS, D. Solutions Manual to Accompany the Elements of Physical Chemistry. Oxford : Oxford University Press, 1997. 183 p.
ATKINS, P W. Student's solutions manual for Physical Chemistry. Bratislava : STU v Bratislave FCHPT, 2002. 429 p. ISBN 80-227-1724-X.

Language of instruction: -- item not defined --
Courses evaluation:
Assessed students in total: 27

51,9 %14,8 %25,9 %3,7 %3,7 %0 %
Name of lecturer(s): doc. Ing. Lukáš Bučinský, PhD. (examiner, instructor, lecturer, person responsible for course) - slovak
Last modification: 11. 6. 2018
Supervisor: doc. Ing. Lukáš Bučinský, PhD. and programme supervisor

Last modification made by Ing. Tomáš Molnár on 06/11/2018.

Type of output: