Erik Källman
PhD student at Department of Chemistry - Ångström Laboratory; Molecular Biomimetics; Biophysical and Bioinorganic Chemistry
- E-mail:
- erik.kallman@kemi.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
75120 Uppsala - Postal address:
- Box 523
75120 Uppsala
More information is available to staff who log in.
Short presentation
This text is not available in English, therefore the Swedish version is shown.
My research interests range from nuclear dynamics to multi-configurational wavefunction theory, specifically with applications to describing X-ray phenomena using the restricted active space method (RAS) as implemented in the MOLCAS program. Primarily, my current work is focused on sofware and theory development for the creation of tools for theoretical investigations of X-ray scattering processes.
Biography
Since completing my masters degree in theoretical chemistry at Uppsala University in 2014, studying nuclear quantum dynamics under supervision of Prof. Hans Karlsson, i have been working as a PhD student at the same university, now under supervision of Marcus Lundberg.
Publications
Recent publications
- Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering (2020)
- Quantifying similarity for spectra with a large number of overlapping transitions (2020)
- Simulations of valence excited states in coordination complexes reached through hard X-ray scattering (2020)
- Inception of electronic damage of matter by photon-driven post-ionization mechanisms (2019)
- OpenMolcas (2019)
All publications
Articles
- Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering (2020)
- Quantifying similarity for spectra with a large number of overlapping transitions (2020)
- Simulations of valence excited states in coordination complexes reached through hard X-ray scattering (2020)
- Inception of electronic damage of matter by photon-driven post-ionization mechanisms (2019)
- OpenMolcas (2019)
- Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra (2019)
- Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet (2018)
- Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections (2018)
- Probing the oxidation state of transition metal complexes (2018)
- X-ray-induced sample damage at the Mn L-edge (2018)
- Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering (2016)
