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/10.1088/0953-8984/21/3/033101Additional 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
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 41032525
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ABSORPTION SPECTRA; ACCURACY; EXCITATION; EXCITED STATES; ICE; LIQUIDS; OPTICAL PROPERTIES; SPECTROSCOPY; VAPORS; WATER
- Descriptors DEC
- ENERGY LEVELS; ENERGY-LEVEL TRANSITIONS; FLUIDS; GASES; HYDROGEN COMPOUNDS; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; SPECTRA