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. © 2009 IOP Publishing Ltd.
Garbuio, V., Cascella, M., & Pulci, O. (2009). Excited state properties of liquid water. JOURNAL OF PHYSICS. CONDENSED MATTER, 21(3).
Tipologia: | Articolo su rivista |
Citazione: | Garbuio, V., Cascella, M., & Pulci, O. (2009). Excited state properties of liquid water. JOURNAL OF PHYSICS. CONDENSED MATTER, 21(3). |
IF: | Con Impact Factor ISI |
Lingua: | English |
Settore Scientifico Disciplinare: | Settore FIS/03 - Fisica della Materia |
Revisione (peer review): | Sì, ma tipo non specificato |
Tipo: | Articolo |
Rilevanza: | Rilevanza internazionale |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1088/0953-8984/21/3/033101 |
Stato di pubblicazione: | Pubblicato |
Data di pubblicazione: | 2009 |
Titolo: | Excited state properties of liquid water |
Autori: | |
Autori: | Garbuio, V; Cascella, M; Pulci, O |
Appare nelle tipologie: | 01 - Articolo su rivista |