Quantum simulations of neutral water clusters and singly-charged water cluster anions.

  title={Quantum simulations of neutral water clusters and singly-charged water cluster anions.},
  author={Alfonso Gij{\'o}n and E R Hern{\'a}ndez},
  journal={Physical chemistry chemical physics : PCCP},
We report a computational study of the structural and energetic properties of water clusters and singly-charged water cluster anions containing from 20 to 573 water molecules. We have used both a classical and a quantum description of the molecular degrees of freedom. Water intra and inter-molecular interactions have been modelled through the SPC/F model, while the water-excess electron interaction has been described via the well-known Turi-Borgis potential. We find that in general the quantum… 



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