Published January 21, 2009 | Version v1
Journal article

Excited state properties of liquid water

  • 1. European Theoretical Spectroscopy Facility (ETSF), CNR-INFM-SMC, Department of Physics University of Rome Tor Vergata (Italy)
  • 2. Departement fuer Chemie und Biochemie, Laboratory of Computational Chemistry and Biochemistry, Universitaet Bern (Switzerland)

Description

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. (topical review)

Availability note (English)

Available from http://dx.doi.org/10.1088/0953-8984/21/3/033101

Additional details

Identifiers

DOI
10.1088/0953-8984/21/3/033101;
PII
S0953-8984(09)45103-8;

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
21
Journal Issue
3
Journal Page Range
[15 p.]
ISSN
0953-8984
CODEN
JCOMEL

INIS