8 citations · 19 across the 4 of their papers we have counts for
4 papers
Computing decay widths of autoionizing Rydberg states with complex-variable coupled cluster theory
Joel Creutzberg, Wojciech Skomorowski, Thomas-C. Jagau
We compute autoionization widths of various Rydberg states of neon and dinitrogen by equation-of-motion coupled-cluster theory combined with complex scaling and complex basis funct…
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
Joel Creutzberg, Erik Donovan Hedegård
We have recently developed a method based on relativistic time-dependent density functional theory (TD-DFT) that allows the calculation of electronic spectra in solution (Creutzber…
Polarizable embedding complex polarization propagator in four- and two-component frameworks
Joel Creutzberg, Erik D. Hedegård
Explicit embedding methods combined with the complex polarization propagator (CPP) enable modeling of spectroscopy for increasingly complex systems with a high density of states. W…
Investigating the influence of relativistic effects on absorption spectra for platinum complexes with light-activated activity against cancer cells
Joel Creutzberg, Erik Donovan Hedegård
We report the first investigation of relativistic effects on the UV-vis spectra of two prototype complexes for so-called photo-activated chemotherapy (PACT), trans-trans-trans-[Pt(…