Pietro Cortona

Paris-Saclay

Laboratoire Structures Propriétés et Modélisation des Solides

pietro.cortona [at] centralesupelec.fr

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Publications :

  • Article dans une revue - 43 documents
    • Eduardo Fabiano, Pietro Cortona. Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems, 2023-01. (https://centralesupelec.hal.science/hal-04465689v1)
    • Hainan Liu, S Santos, C Yuen, Pietro Cortona, V Kokoouline, Mehdi Ayouz. Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact, 2020-01-01. (https://centralesupelec.hal.science/hal-04467794v1)
    • Xianwu Jiang, Chi Hong Yuen, Pietro Cortona, Mehdi Ayouz, Viatcheslav Kokoouline. Cross sections for vibronic excitation of CH + by low-energy electron impact, 2019-12. (https://centralesupelec.hal.science/hal-02569729v1)
    • Hainan Liu, Samantha Fonseca Dos Santos, Chi Hong Yuen, Pietro Cortona, Viatcheslav Kokoouline, Mehdi Ayouz. Theoretical study of electron-induced vibrational excitation of NO 2, 2019-10-01. (https://centralesupelec.hal.science/hal-02569734v1)
    • Kh. El-Kelany, C. Ravoux, J. Desmarais, P. Cortona, Y. Pan, J. Tse, A. Erba. Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd), 2018-06. (https://hal.science/hal-01816333v1)
    • Aleksandr V Terentjev, Pietro Cortona, Lucian A Constantin, José M M.Pitarke, Fabio Della Sala, Eduardo Fabiano. Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory, 2018-03. (https://hal.science/hal-01769550v1)
    • Cedillo Andrés, Pietro Cortona. Effect of Pressure on Cesium Iodide Band Gap, 2018-02-05. (https://hal.science/hal-01779222v1)
    • Pietro Cortona. Hydrogen bond symmetrization and elastic constants under pressure of δ -AlOOH, 2017-08-16. (https://hal.science/hal-01779597v1)
    • Z. Yan, I. A. Kibalin, N. Claiser, S. Gueddida, B. Gillon, A. Gukasov, A. B Voufack, Filippo Morini, Y. Sakurai, M. Brancewicz, M Itou, M Itoh, N. Tsuji, M. Ito, M. Souhassou, C. Lecomte, P. Cortona, J.-M. Gillet. Spin density in YTiO 3 : II. Momentum-space representation of electron spin density supported by position-space results, 2017-08. (https://hal.science/hal-01779605v1)
    • Eduardo A Fabiano, Pietro Cortona. Dispersion corrections applied to the TCA family of exchange-correlation functionals, 2017-08. (https://hal.science/hal-01779594v1)
    • Andres Cedillo, Marc Torrent, P. Cortona. Stability of the different A1OOH phases under pressure, 2016-05-11. (https://hal.science/hal-01485660v1)
    • Lucian A Constantin, Aleksandrs A Terentjevs, Fabio Della Sala, Pietro Cortona, Eduardo A Fabiano. Semiclassical atom theory applied to solid-state physics, 2016. (https://hal.science/hal-01485745v1)
    • Eduardo Fabiano, Lucian A. Constantin, Pietro Cortona, Fabio Della Sala. Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response, 2015-12-14. (https://hal.science/hal-01258413v1)
    • Alex Pokropivny, Shiyun Xiong, Yurii Chumakov, Pietro Cortona, Sebastian Volz. Ab initio calculations of ideal and defective bismuth telluride nanotubes, 2015-01-05. (https://hal.science/hal-01257686v1)
    • E Fabiano, L.A. Constantin, A. Terentjevs, Fabio Della Sala, P. Cortona. Assessment of the TCA functional in computational chemistry and solid‑state physics, 2015. (https://hal.science/hal-01260171v1)
    • S. Xiong, K. Yang, A. Kosevich, Y. Chalopin, R. d'Agosta, P. Cortona, S. Volz. Classical to Quantum Transition of Heat Transfer between Two Silica Clusters, 2014-03-21. (https://hal.science/hal-01053375v1)
    • C.A. Guido, P. Cortona, C. Adamo. Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy, 2014-03-10. (https://hal.science/hal-01053347v1)
    • Eric Brémond, Mahboubeh Poor Kalhor, Diane Bousquet, Pierre Mignon, Ilaria Ciofini, Carlo Adamo, Pietro Cortona, Henry Chermette. Assessing the performances of some recently proposed density functionals for the description of organometallic structures, 2013-10. (https://hal.science/hal-00915704v1)
    • Konstantinos Termentzidis, Alex Pokropivny, Michael Woda, Shiyun Xiong, Yuri Chumakov, Pietro Cortona, Sebastian Volz. Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices, 2013. (https://hal.science/hal-01285861v1)
    • Yurii Chumakov, S.-Y. Xiong, Javier Santos, Isabel Ferreira, K. Termentzidis, Alex Pokropivny, Pietro Cortona, Sebastian Volz. Ab initio Calculation and Measurements of V2O5 Film Thermoelectric Properties, 2013. (https://hal.science/hal-01285864v1)
    • Eric Brémond, D. Pilard, I. Ciofini, Henry Chermette, C. Adamo, P. Cortona. Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family, 2012-03-11. (https://hal.science/hal-00762130v1)
    • P. Cortona. Note: Theoretical mixing coefficients for hybrid functionals, 2012-02-27. (https://hal.science/hal-00684570v1)
    • J. Hermet, P. Cortona, C. Adamo. New range-separated hybrids based on the TCA density functional, 2012-01-02. (https://hal.science/hal-00694473v1)
    • P. Becker, J. -M. Gillea, M. Deutsh, N. Claiser, M. Souhassou, B. Gillon, Y. Ciumacov, S. Pillet, C. Lecomte, P. Cortona, D. Luneau, A. Bortha. Joint densities and density matrices refinements: first attempts and first results, 2011-08. (https://hal.science/hal-02640355v1)
    • P. Cortona, M. Mebarki. Cu2O behavior under pressure An ab initio study, 2011. (https://hal.science/hal-02273312v1)
    • V. Tognett, P. Cortona, C. Adamo. Assessing the Performances of Some Recently Proposed Density Functionals for the Description of Bond Dissociations Involving Organic Radicals, 2010-10-01. (https://hal.science/hal-00581730v1)
    • V. Tognetti, C. Adamo, P. Cortona. Density-functional calculations for large systems: can GGA functionals be competitive with hybrid functionals?, 2010-06-01. (https://hal.science/hal-00582422v1)
    • V. Tognetti, L. Joubert, P. Cortona, C. Adamo. Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex, 2009-11-05. (https://hal.science/hal-00585543v1)
    • V. Tognetti, P. Cortona, C. Adamo. Activation enthalpies of pericyclic reactions The performances of some recently proposed functionals, 2009. (https://hal.science/hal-02273319v1)
    • V. Tognetti, P. Cortona, C. Adamo. A new parameter-free correlation functional based on an average atomic reduced density gradient analysis, 2008. (https://hal.science/hal-02273321v1)
    • V. Tognetti, P. Cortona, C. Adamo. Increasing physical constraints and improving performances in a parameter-free GGA functional, 2008. (https://hal.science/hal-02273320v1)
    • V. Tognetti, C. Adamo, P. Cortona. Interconfigurational energies and ionization potentials Test of a correlation energy functional, 2007. (https://hal.science/hal-02271912v1)
    • D. Sekiba, F. Komori, P. Cortona. Investigation of the surface bands along the X-M line of the Cu(100) surface, 2007. (https://hal.science/hal-00176595v1)
    • V. Tognetti, P. Cortona, C. Adamo. The performances of a parameter-free local correlation functional : The Ragot-Cortona model, 2007. (https://hal.science/hal-00176596v1)
    • P. Cortona, C. Sapet. LCAO study of the Cu(110)-p(2 x 1)O surface, 2005-07-10. (https://hal.science/hal-00116284v1)
    • Sebastien Ragot, Pietro Cortona. Correlation kinetic energy of many-electron systems: a modified Colle-Salvetti approach, 2004. (https://hal.science/hal-00122075v1)
    • P. Cortona, C. Sapet. Electronic structure of the Cu (1 1 0) -p (2 × 1) O surface by the semi-empirical LCAO method, 2004. (https://hal.science/hal-02271914v1)
    • J.-M. Raulot, G. Baldinozzi, R. Seshadri, P. Cortona. An ab-initio study of the rôle of lone pairs in the structure and insulator-metal transition in SnO and PbO, 2002. (https://hal.science/hal-02271913v1)
    • Pierre J. Becker, Jean-Michel Gillet, P. Cortona, S. Ragot. Complementary aspects of charge and momentum density for the study of the chemical bond, 2001. (https://hal.science/hal-02270613v1)
    • Jean-Michel Gillet, Pierre J. Becker, P. Cortona. Joint refinement of a local wave-function model from Compton and Bragg scattering data, 2001. (https://hal.science/hal-02270610v1)
    • Jean-Michel Gillet, P. Cortona. Analysis of the MgO structure factors, 1999. (https://hal.science/hal-02270614v1)
    • P. Cortona, G. Böbel, F.G. Fumi. On the density-functional description of the electron affinities of Ca and Sc, 1990. (https://hal.science/jpa-00212364v1)
    • P. Cortona, G. Böbel, F.G. Fumi. Electron affinities of the light atoms in self-interaction corrected LDA, 1989. (https://hal.science/jpa-00211090v1)
  • POSTER - 1 document
  • Communication dans un congrès - 6 documents
    • K. Termentzidis, A. Pokropivny, M. Woda, S.-Y. Xiong, Y. Chumakov, P. Cortona, S. Volz. Structure impact on the thermal and electronic properties of bismuth telluride by ab-initio and molecular dynamics calculations, 2012-09-04. (https://hal.science/hal-02273313v1)
    • Yu. Chumakov, J.R. Santos, I. Ferreira, K. Termentzidis, A. Pokropivny, S.-Y. Xiong, P. Cortona, S. Volz. Thermoelectric transport in V2O5 thin films, 2012-09-04. (https://hal.science/hal-02273314v1)
    • K. Termentzidis, A. Pokropivny, S.-Y. Xiong, Y. Chumakov, P. Cortona, S. Volz. Structural engineering of vacancy defected bismuth tellurides for thermo-electric applications, 2012-04-17. (https://hal.science/hal-02273318v1)
    • Jean-Michel Gillet, Yurii Ciumacov, Pietro Cortona, Pierre Becker, Mohamed Souhassou, Nicolas Claiser, Maxime Deutsch, Sébastien Pillet, Claude Lecomte, Béatrice Gillon, Dominique Luneau, Ana Borta, Olga Iasco. Charge, spin and momentum densities simultaneous refinement. From the method to the code, 2010-08-29. (https://hal.science/hal-02650324v1)
    • L. Pasquali, M.C. Sapet, E.M. Staicu-Casagrande, P. Cortona, V.A. Esaulov, S. Nannarone, M. Canepa, S. Terreni, L. Mattera. Ag(1 0 0) surface density of states probed by metastable deexcitation spectroscopy A comparison between experiment and theory, 2003-01-19. (https://hal.science/hal-02271911v1)
    • P. Cortona, C. Sapet. Semi-empirical LCAO analysis of the surface states of Cu The (1 1 0) surface, 2002-08-29. (https://hal.science/hal-02271910v1)
  • Chapitre d'ouvrage - 2 documents