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  1. No Access

    Article

    Optical properties from time-dependent current-density-functional theory: the case of the alkali metals Na, K, Rb, and Cs

    We present the optical conductivity as well as the electron-energy loss spectra of the alkali metals Na, K, Rb, and Cs calculated within time-dependent current-density functional theory. Our ab initio formulat...

    R. Ferradás, J. A. Berger, Pina Romaniello in The European Physical Journal B (2018)

  2. No Access

    Article

    Photoelectron spectra from full time dependent self-interaction correction

    In the framework of time dependent density functional theory at the level of the local density approximation, we discuss the applicability of a self-interaction correction to the description of realistic irrad...

    Marc Vincendon, Phuong Mai Dinh, Pina Romaniello… in The European Physical Journal D (2013)

  3. No Access

    Article

    Structural and new spectroscopic properties of neutral \([\hbox{M(dmit)}_{\bf 2}] (\hbox{dmit} = \hbox{C}_{\bf 3} \hbox{S}_{\bf 5}^{\bf 2-}\) , 1,3-dithiole-2-thione-4,5-dithiolate) and \([\hbox{M}(\hbox{H}_{\bf 2}\hbox{timdt})_{\bf 2}](\hbox{H}_{\bf 2}\hbox{timdt} = \hbox{H}_{\bf 2} \hbox{C}_{\bf 3} \hbox{N}_{\bf 2} \hbox{S}_{\bf 3}^{\bf 1-}\) , monoanion of imidazolidine-2,4,5-trithione) complexes within the density functional approach

    We give a detailed description of the structural, electronic and optical properties of the [M(dmit)2] (M = Ni, Pd, Pt) neutral dithiolenes by calculating their geometries, their bonding energies, their vibrationa...

    Pina Romaniello, Francesco Lelj, Massimiliano Arca… in Theoretical Chemistry Accounts (2007)