In order to enable an iCal export link, your account needs to have an API key created. This key enables other applications to access data from within Indico even when you are neither using nor logged into the Indico system yourself with the link provided. Once created, you can manage your key at any time by going to 'My Profile' and looking under the tab entitled 'HTTP API'. Further information about HTTP API keys can be found in the Indico documentation.
Additionally to having an API key associated with your account, exporting private event information requires the usage of a persistent signature. This enables API URLs which do not expire after a few minutes so while the setting is active, anyone in possession of the link provided can access the information. Due to this, it is extremely important that you keep these links private and for your use only. If you think someone else may have acquired access to a link using this key in the future, you must immediately create a new key pair on the 'My Profile' page under the 'HTTP API' and update the iCalendar links afterwards.
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Theoretical studies on core-level spectroscopy: Dynamical effects
Core-level spectroscopy using X-rays is an important tool to probe electronic states in molecules and materials and widely used in various fields of science; physics, chemistry, biology, and also geology. Recently, double core hole (DCH) spectroscopy from the K-shell is one of hot topics. DCH spectroscopy from other shells have been investigated extensively from 70’s to 80’s. For the K-shell DCH study, theoretical poineering works have been performed by Cederbaum et al, and followed by Ågren et al. Although experimental detections of DCH states were very difficult due to small cross sections, several experimental results were reported recently with experimental improvements of synchrotron radiation and emergence of X-ray free electron laser. Stimulating such experimental progress, theoretical studies have been revived again.
In this talk, I introduce some recent results of ionization potential (IP) for K-Shell single core hole (SCH) creation and double ionization potential (DIP) for K-Shell double core hole creation of XHm-YHn (X, Y = C, N, O, F, m,n=0-3) and C60 within the framework of density functional theory (DFT). For these molecules, we estimated the relaxation energies (a measure of the electron density flow to the core-hole site) and the interatomic relaxation energies (a measure of the electron density flow to the two core-hole sites) from the calculated IPs and DIPs. For XHm-YHn, we find that the interatomic relaxation energy for the DCH states having two holes at X and Y atoms decreases with increasing bond order between X and Y. For DCH states having two holes at two carbon atoms in C60, we find that the interatomic relaxation energy decreases with increasing hole-hole distance. Finally, I talk about the dynamical effects on the core-hole and double-core-hole states of a single water molecule.