One-Electron Potentials for Fragment-Based Methods

Get to know about the EOP Procedure, which can be useful in applications for large molecular systems with high efficiency.

Effective Fragment Potentials with EOPs

See our EOP-based version of the EFP2 model, with the much more efficient charge-transfer term.

Modelling Exciton Hamiltonian with EOPs

EOP Procedure can be applied to efficiently calculate excitonic energy transfer couplings, which is an important quantity in energy migration within the light harvesting complexes and optoelectronic devices.