Polarizable embedding for the algebraic-diagrammatic construction scheme : investigating photoexcitations in large biomolecular systems / Maximilian Scheurer.
Maximilian Scheurer presents a method for modeling excited states in atomistic, heterogeneous environments. The method utilizes the polarizable embedding (PE) model to mimic electrostatic and polarization interactions of a molecule with its environment. For high-level modeling of the molecules excit...
Full description
Saved in: