Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI.

  title={Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI.},
  author={Silvio Pipolo and Stefano Corni and Roberto Cammi},
  journal={The Journal of chemical physics},
  volume={146 6},
The dynamics of the electrons for a molecule in solution is coupled to the dynamics of its polarizable environment, i.e., the solvent. To theoretically investigate such electronic dynamics, we have recently developed equations of motion (EOM) for the apparent solvent polarization charges that generate the reaction field in the Polarizable Continuum Model (PCM) for solvation and we have coupled them to a real-time time-dependent density functional theory (RT TDDFT) description of the solute [S… 

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