101 citations · 187 across the 7 of their papers we have counts for
7 papers
A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy
Sven Karsten, Sergey I. Bokarev, Saadullah G. Aziz +2
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much l…
Density matrix based time-dependent configuration interaction approach to ultrafast spin-flip dynamics
H. Wang, S. I. Bokarev, S. G. Aziz +1
Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the co…
Ultrafast spin-flip dynamics in transition metal complexes triggered by soft X-ray light
Huihui Wang, Sergey I. Bokarev, Saadullah G. Aziz +1
Recent advances in attosecond physics provide access to the correlated motion of valence and core electrons on their intrinsic timescales. For valence excitations, processes relate…
Nuclear dynamical correlation effects in X-ray spectroscopy from a time-domain perspective
Sven Karsten, Sergei D. Ivanov, Saadullah G. Aziz +2
To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Her…
Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates
Marie Preuße, Sergey I. Bokarev, Saadullah G. Aziz +1
The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of restricted active…
Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling
Gilbert Grell, Sergey I. Bokarev, Bernd Winter +4
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of…
Interaction of Polar and Nonpolar Organic Pollutants with Soil Organic Matter: Sorption Experiments and Molecular Dynamics Simulation
Ashour A. Ahmed, Sören Thiele-Bruhn, Saadullah G. Aziz +5
The fate of organic pollutants in the environment is influenced by several factors including the type and strength of their interactions with soil components especially SOM. Howeve…