4 citations · 5 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2023
Theoretical and numerical comparison of quantum- and classical embedding models for optical spectra
Marina Jansen, Peter Reinholdt, Erik D. Hedegård +1
Quantum-mechanical (QM) and classical embedding models approximate a supermolecular quantum chemical calculation. This is particularly useful when the supermolecular calculation ha…
physics.chem-ph2023★ 4 cited
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…
physics.chem-ph2016★ 1 cited
Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Erik D. Hedegård, Ulf Ryde
Lytic polysaccharide monooxygenase (LPMO) enzymes have attracted considerable attention due to their ability to enhance polysaccharide depolymerization, making them interesting in…