Pietro Cortona

Laboratoire

Structures Propriétés et Modélisation des Solides

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Publications (52)

Article dans une revue 01/01/2011

Cu2O behavior under pressure An ab initio study

P. Cortona , M. Mebarki , Pietro Cortona

Article dans une revue 01/10/2010

Assessing the Performances of Some Recently Proposed Density Functionals for the Description of Bond Dissociations Involving Organic Radicals

V. Tognett , P. Cortona , C. Adamo , Pietro Cortona

Communication dans un congrès 01/08/2010

Charge, spin and momentum densities simultaneous refinement. From the method to the code

Yurii Ciumacov , Mohamed Souhassou , Nicolas Claiser , Maxime Deutsch , Sébastien Pillet , Claude Lecomte , Béatrice Gillon , Dominique Luneau , Ana Borta , Olga Iasco , Jean-Michel Gillet , Pietro Cortona

Article dans une revue 01/06/2010

Density-functional calculations for large systems: can GGA functionals be competitive with hybrid functionals?

V. Tognetti , C. Adamo , P. Cortona , Pietro Cortona

Article dans une revue 05/11/2009

Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

V. Tognetti , L. Joubert , P. Cortona , C. Adamo , Pietro Cortona

Article dans une revue 01/01/2009

Activation enthalpies of pericyclic reactions The performances of some recently proposed functionals

V. Tognetti , P. Cortona , C. Adamo , Pietro Cortona

Article dans une revue 01/01/2008

Increasing physical constraints and improving performances in a parameter-free GGA functional

V. Tognetti , P. Cortona , C. Adamo , Pietro Cortona

Article dans une revue 01/01/2008

A new parameter-free correlation functional based on an average atomic reduced density gradient analysis

V. Tognetti , P. Cortona , C. Adamo , Pietro Cortona

Article dans une revue 01/01/2007

The performances of a parameter-free local correlation functional : The Ragot-Cortona model

V. Tognetti , P. Cortona , C. Adamo , Pietro Cortona

Article dans une revue 01/01/2007

Interconfigurational energies and ionization potentials Test of a correlation energy functional

V. Tognetti , C. Adamo , P. Cortona , Pietro Cortona

Article dans une revue 01/01/2007

Investigation of the surface bands along the X-M line of the Cu(100) surface

D. Sekiba , F. Komori , P. Cortona , Pietro Cortona

Article dans une revue 10/07/2005

LCAO study of the Cu(110)-p(2 x 1)O surface

P. Cortona , C. Sapet , Pietro Cortona

Article dans une revue 01/01/2004

Electronic structure of the Cu (1 1 0) -p (2 × 1) O surface by the semi-empirical LCAO method

P. Cortona , C. Sapet , Pietro Cortona

Article dans une revue 01/01/2004

Correlation kinetic energy of many-electron systems: a modified Colle-Salvetti approach

Sebastien Ragot , Pietro Cortona

Communication dans un congrès 01/01/2003

Ag(1 0 0) surface density of states probed by metastable deexcitation spectroscopy A comparison between experiment and theory

L. Pasquali , M.C. Sapet , E.M. Staicu-Casagrande , P. Cortona , V.A. Esaulov , S. Nannarone , M. Canepa , S. Terreni , L. Mattera , Pietro Cortona

Communication dans un congrès 01/01/2003

Semi-empirical LCAO analysis of the surface states of Cu The (1 1 0) surface

P. Cortona , C. Sapet , Pietro Cortona

Article dans une revue 01/01/2002

An ab-initio study of the rôle of lone pairs in the structure and insulator-metal transition in SnO and PbO

J.-M. Raulot , G. Baldinozzi , R. Seshadri , P. Cortona , Gianguido Baldinozzi , Pietro Cortona

Article dans une revue 01/01/2001

Complementary aspects of charge and momentum density for the study of the chemical bond

Pierre J. Becker , P. Cortona , S. Ragot , Jean-Michel Gillet , Pietro Cortona

Article dans une revue 01/01/2001

Joint refinement of a local wave-function model from Compton and Bragg scattering data

Pierre J. Becker , P. Cortona , Jean-Michel Gillet , Pietro Cortona

Article dans une revue 01/01/1999

Analysis of the MgO structure factors

P. Cortona , Jean-Michel Gillet , Pietro Cortona

Article dans une revue 01/01/1990

On the density-functional description of the electron affinities of Ca and Sc

P. Cortona , G. Böbel , F.G. Fumi , Pietro Cortona

Article dans une revue 01/01/1989

Electron affinities of the light atoms in self-interaction corrected LDA

P. Cortona , G. Böbel , F.G. Fumi , Pietro Cortona