Combining spectroscopic methods with theoretical chemistry has evolved into a major and powerful component of modern research in molecular sciences. This summer school aims to offer students, postdocs and young researchers the necessary knowledge to bridge the gap between these two approaches.
The school consists of morning lectures by international experts, in which various spectroscopic techniques are presented and the basics of the computational approaches are discussed. Every afternoon, practical sessions will then focus on electronic structure calculations and the prediction of spectroscopic properties.
Topics:
• Introduction to computational chemistry
• Ligand field theory, Magnetism
• Electron paramagnetic resonance (EPR), optical (UV/Vis) and MCD, vibrational (IR/Raman), Mössbauer, and X-ray spectroscopies (XAS, XES)
• Calculation of spectroscopic parameters
• Advanced special interest lectures
The school consists of morning lectures by international experts, in which various spectroscopic techniques are presented and the basics of the computational approaches are discussed. Every afternoon, practical sessions will then focus on electronic structure calculations and the prediction of spectroscopic properties.
Topics:
• Introduction to computational chemistry
• Ligand field theory, Magnetism
• Electron paramagnetic resonance (EPR), optical (UV/Vis) and MCD, vibrational (IR/Raman), Mössbauer, and X-ray spectroscopies (XAS, XES)
• Calculation of spectroscopic parameters
• Advanced special interest lectures
