Time dependent density functional investigation of the near-edge absorption spectra of V2O5
Abstract
We have performed Time Dependent Density Functional Theory (TDDFT) calculations employing a cluster model of the core excitation spectra of
* Corresponding authors
a Dipartimento di Scienze Chimiche, Via L. Giorgieri 1, Università di Trieste, I-34127 Trieste, Italy
b Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali, INSTM, Unita’ di Trieste
c
INFM Democritos National Simulation Center, Trieste, Italy
E-mail:
fronzoni@univ.trieste.it
d Dipartimento di Scienze dell’Ambiente e della Vita, Università del Piemonte Orientale, Via V. Bellini 25/G, 15100 Alessandria, Italy
We have performed Time Dependent Density Functional Theory (TDDFT) calculations employing a cluster model of the core excitation spectra of
R. De Francesco, M. Stener, M. Causà, D. Toffoli and G. Fronzoni, Phys. Chem. Chem. Phys., 2006, 8, 4300 DOI: 10.1039/B607705F
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Fetching data from CrossRef.
This may take some time to load.
Loading related content