Optical absorption spectra of (H2O)n

Joshua Jortner, Uzi Landman, R. N. Barnett

Research output: Contribution to journalArticlepeer-review


We provide theoretical information from quantum path integral molecular dynamics simulations on the size dependence of the mean optical excitation energy of the localized excess electron in (H2O)n- (n= 8-128 ) cluster. We consider the energetics and the nature of the electronic excitation, i.e. bound-continuum and bound-bound transitions, and their interrelationship to the excess electron localization modes via surface and interior states in water clusters.

Original languageEnglish
Pages (from-to)353-357
Number of pages5
JournalChemical Physics Letters
Issue number4-5
StatePublished - 18 Nov 1988


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