Stockholms universitet

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Theory

The theoretical activity makes use of DFT based techniques to obtain X-ray absorption and X-ray emission spectra which are used to bring in new ideas and interpretations of experimental data.
We utilize a large number of theoretical approaches and we have ourselves developed new methods to compute XAS and XES spectra using both MO-cluster and, more recently periodic plane-waves based approaches, including also dynamical effects in the spectra though molecular dynamics simulations. As a group we are among the main developers of a first-principles code called StoBe-deMon. The manual can be found here.
Stockholm University |AlbaNova University Center| Fysikum |Updated 14 June 2010 | back to top |