Code: |
152845 |
ECTS: | 8.0 |
Lecturers in charge: |
prof. dr. sc.
Tomica Hrenar
dr. sc. Ivan Ljubić |
Take exam: | Studomat |
Load: | |||||
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Description: | |||||
Overview of modern quantum-chemical methods; Hartree-Fock (HF) self-consistent field theory (SCF) for closed and open shells; Description of dynamic and nondynamic electron correlation; Single-determinant reference (post-HF) methods; Multiconfigurational methods in quantum chemistry (CASSCF, CASPT2); Density functional theory (DFT); Time-dependent DFT formalism (TD-DFT); Variational Transition State Theory; Comparison of single reference, multireference and DFT treatments. |
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Literature: | |||||
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1. semester |
Izborni kolegiji za smjer analitička kemija - Regular study - Analytical chemistry |
3. semester |
Izborni predmeti doktorski studij kemije - Regular study - Analytical chemistry |