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DRF: Discrete Solvent Reaction Field Model

The Discrete Solvent Reaction Field (DRF) model is a hybrid Quantum mechanical and Molecular Mechanics (QM/MM) model for studying solvation effects on (time-dependent) molecular properties such as dipole moments, excitation energies and (hyper)polarizabilities[141-145]. The classical solvent molecules are represented using distributed atomic charges and polarizabilities.

DRF Theory
Parameters needed in the DRF model
DRF input
EXTERNALS
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