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Updated: May 30, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Excited state properties of liquid water
Viviana Garbuio1, Michele Cascella, Olivia Pulci
1European Theoretical Spectroscopy Facility (ETSF), CNR-INFM-SMC, Department of Physics University of Rome Tor Vergata, Italy.
Abstract:
In this paper, we give an overview of the state of the art in calculations of the electronic band structure and absorption spectra of water. After an introduction to the main theoretical and computational schemes used, we present results for the electronic and optical excitations of water. We focus mainly on liquid water, but spectroscopic properties of ice and vapor phase are also described. The applicability and the accuracy of first-principles methods are discussed, and results are critically presented.
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