The optical-absorption spectrum of an excess electron solvated in a molecular sample of liquid water at 300 K has been calculated with use of solvent configurations generated via path-integral simulation and subsequent solution of the excess-electronic eigenvalue problem. Electronic transitions from an slike ground state to three bound, localized, p-like excited states dominate the broad asymmetric spectrum with excitations into an apparent continuum following at higher energy. Asymmetric distortions and radial fluctuations of the solvent cavities contribute comparably to the spectral broadening.
We prescribe an analytical form of the interaction potential between rigid water and a rigid platinum metal surface, which takes into account the surface symmetry and corrugation. Using this potential we perform a molecular dynamics computer simulation on water lamina restricted by two PtC 111) surfaces and investigate the structure and dynamics of water at the Pt interface. At 300 K the water layer adjacent to the metal surface displays solid-like properties. Patches of ice-like structure embedded in this layer are observed in the simulation. The next two layers of water display ordering similar to ice-I. Beyond these three layers the structure and dynamics of water are bulk-like.
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