27. 6. 2019  4:13 Ladislav
Akademický informační systém

Sylabus předmětu N421K1_4I - Quantum Chemistry (FCFT - SS 2019/2020)


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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
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:
Basic:
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 --
 
Notes:
 
Courses evaluation:
Assessed students in total: 30

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56,7 %13,3 %23,3 %3,3 %3,4 %0 %
Name of lecturer(s): doc. Ing. Lukáš Bučinský, PhD. (person responsible for course) - slovak
 
Last modification: 29. 1. 2019
Supervisor: doc. Ing. Lukáš Bučinský, PhD. and programme supervisor


Last modification made by Ing. Tomáš Molnár on 01/29/2019.

Typ výstupu: