Molecular Response Theory and Spectroscopy

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This course encompasses three components: (i) preparatory studies, (ii) an intense international PhD school somewhere in Europe or the USA, and (iii) independent problem solving that also acts as examination.

The course has been developed during the process of writing a comprehensive textbook on the topic of theoretical molecular spectroscopy with the title "Principles and Practices of Molecular Properties" (Wiley, 2018) and authored by Patrick Norman, Kenneth Ruud, and Trond Saue. The authors presents much of the material in the book during a weeklong school for PhD students and researchers in the field. As indicated, the school is very intense and the topics are rather advanced so it is highly recommended to have completed a standard course in quantum mechanics before attending the school. In addition, in order to count as PhD course at KTH, it is expected that the student spends 40 h on preparatory studies as well as an equal amount of time on problem solving and computer laborations upon returning from the school. These exercises will serve as examination on the course. 

The weeklong PhD school will include comprehensive presentations of time-dependent response theory and electrodynamics. Response theory is explored in the time and frequency domains and with use of different quantum mechanical formulations. Electrodynamics is targeted towards an understanding of internal and external field interactions in/with molecular systems. More applied lectures cover presentations of linear and nonlinear optical properties, vibrational spectroscopies, UV/vis and X-ray absorption spectroscopies and birefringences, and magnetic resonance spectroscopies.

The ambition is to offer the school on a bi-annual basis. Previous schools were given in Bardufoss, Norway, in 2019,, and at Virginia Tech, USA, in 2017, It is now decided that the next one will be given in Stockholm in June 2021,


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