Sep 22, 2019   5:41 a.m. Móric
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Course syllabus 421R0_4D - Relativistic Methods of Quantum Chemistry (FCFT - 2019/2020 - post-graduate studies)


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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: 421R0_4D
Course unit title: Relativistic Methods of Quantum Chemistry
Mode of delivery, planned learning activities and teaching methods:
lecture5 hours weekly (on-site method)

 
Credits allocated: 6
 
Recommended semester/trimester: Theoretical and Computational Chemistry - doctoral (semi-compulsory), 1. year
Level of study: 3.
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 teach students the basic principles how to take account of relativistic effects in quantum chemistry.
 
Course contents:
relativistic effects. Special theory of relativity. Dirac's Hamiltonian. Hydrogen atom solution for Dirac's Hamiltonian. Dirac's Hamiltonian approximations (ZORA and DKH2). Quasi-relativistic approximations of Dirac's Hamiltonian (X2C). Pseudopotentials. MO LCAO treatment within Dirac's Hamiltonian. Symmetry and double groups. Electron correlation at the relativistic level. Spin in relativistic calculations. The use of relativistic Dirac package. Principles of quantum electrodynamics, matter interaction with electric and magnetic fields.
 
Recommended or required reading:
 
Language of instruction: -- item not defined --
 
Notes:
 
Courses evaluation:
Assessed students in total: 3

PN
100,0 %0 %
Name of lecturer(s): doc. Ing. Lukáš Bučinský, PhD. (person responsible for course) - slovak
 
Last modification: 26. 4. 2019
Supervisor: doc. Ing. Lukáš Bučinský, PhD. and programme supervisor


Last modification made by Ing. Tomáš Molnár on 04/26/2019.

Type of output: