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Faculty of Chemistry and Technology
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Quantum Chemistry
NAME OF THE COURSE  Quantum Chemistry  

Code 


Course teacher 


Associate teachers 


Status of the course 


COURSE DESCRIPTION  
Course objectives 
Introducing the students to the principles of quantum theory and application of this theory to the topics of chemistry. Establishment of modern methodologies for the theoretical study of the structure and spectra of atoms and molecules, molecular dynamics and molecular interactions. 

Course enrolment requirements and entry competences required for the course 
none 

Learning outcomes expected at the level of the course (4 to 10 learning outcomes) 
 Understanding of the basic principles of quantum chemistry and its role in modern chemical research 

Course content broken down in detail by weekly class schedule (syllabus) 
Problems of the classical theory: stability and dimensions of atoms and molecules, photoelectric effect, black body radiation spectrum of the hydrogen atom, Bohr model of the atom. The old quantum theory. Quantum theory: the wave nature of particles, Schrodinger equation, spin, postulates. Particle in a box. Harmonic oscillator. Hydrogen atom, atomic orbitals. Spin. Multielectron atoms. Atomic spectra. BornOppenheimer approximation, HeitlerLondon’s approach. Molecular orbitals. Correlation diagram. Hybridization. Huckel molecular orbitals. Electronic structure of crystals. Ligand field theory. The molecular spectra. Molecular mechanics. The interaction of molecules. The molecules in external fields. Application of presented models. Prediction of molecular properties. 

Format of instruction: 


Student responsibilities 


Screening student work (name the proportion of ECTS credits for eachactivity so that the total number of ECTS credits is equal to the ECTS value of the course): 


Grading and evaluating student work in class and at the final exam 
During the semester, the final exam can be passed via midterm exams and seminar essays calculations.. 

Required literature (available in the library and via other media) 


Optional literature (at the time of submission of study programme proposal) 
W. G. Richards, J. A. Horstley, Ab initio Molecular Orbital Calculations for Chemistrc, Clarendom Press, Oxford, 1970 

Quality assurance methods that ensure the acquisition of exit competences 
Quality assurance will be performed at three levels: 

Other (as the proposer wishes to add) 
