744805 VU Special Topics in Ion Physics B: Computational molecular spectroscopy and photochemistry

summer semester 2022 | Last update: 14.11.2022 Place course on memo list
744805
VU Special Topics in Ion Physics B: Computational molecular spectroscopy and photochemistry
VU 3
5
weekly
annually
English

Molecular spectroscopy is a crucial field of modern physical and chemical research and will be most probably encountered by our students either during their research or in industry. Photochemistry is intimately connected to spectroscopy and its understanding is inevitable for correct interpretation of UV/visible spectroscopy data. Within the course, I will introduce various spectroscopic methods and let students directly perform the respective quantum chemical calculations to support a deeper understanding of the topic as well as to assess the limits of modern computational chemistry.

The course will cover the following topics: Symmetry and group theory, selection rules, basics of statistical thermodynamics (partition function), potential energy surface, rotational spectroscopy, IR and Raman spectroscopy, multiple photon dissociation, Jabłoński diagram, electronic excitations, ionization, X-ray spectroscopy, excited state dynamics and pump-probe experiments, conical intersections, spin and spin-orbit coupling, chirality, NMR.

Lectures

Proseminars

Hands-on quantum chemistry (Gaussian)

theoretical part (oral exam) + practical part (a small project)

Hollas: Modern Spectroscopy

to be announced
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Group 0
Date Time Location
Mon 2022-03-07
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-03-14
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-03-21
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-03-28
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-04-04
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-04-25
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-05-02
15.00 - 17.15 rr 19 rr 19 Barrier-free
Mon 2022-05-09
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-05-16
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-05-23
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-05-30
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-06-13
15.00 - 17.15 rr 19 rr 19 Barrier-free
Mon 2022-06-20
15.00 - 17.30 rr 19 rr 19 Barrier-free
Mon 2022-06-27
15.00 - 17.30 rr 19 rr 19 Barrier-free