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
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* 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
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