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	Pour les 52 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Electronic structure of the Cu (1 1 0) -p (2 × 1) O surface by the semi-empirical LCAO method P. Cortona , C. Sapet Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2004, 566-568 (1-3 PART 2), pp.1102-1106. ⟨10.1016/j.susc.2004.06.064⟩ Article dans une revue istex hal-02271914v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd) Kh. El-Kelany , C. Ravoux , J. Desmarais , P. Cortona , Y. Pan , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 97 (24), ⟨10.1103/PhysRevB.97.245118⟩ Article dans une revue hal-01816333v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact Hainan Liu , S Santos , C Yuen , Pietro Cortona , V Kokoouline , et al. Journal of Physics: Conference Series, 2020, 1412 (17), pp.172002. ⟨10.1088/1742-6596/1412/17/172002⟩ Article dans une revue hal-04467794v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron affinities of the light atoms in self-interaction corrected LDA P. Cortona , G. Böbel , F.G. Fumi Journal de Physique, 1989, 50 (18), pp.2647-2657. ⟨10.1051/jphys:0198900500180264700⟩ Article dans une revue istex jpa-00211090v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density-functional calculations for large systems: can GGA functionals be competitive with hybrid functionals? V. Tognetti , C. Adamo , P. Cortona Interdiscip Sci, 2010, 2 (2), pp.163-168. ⟨10.1007/s12539-010-0073-2⟩ Article dans une revue hal-00582422v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Journal of Physical Chemistry A, 2009, 113 (44), pp.12322-12327. ⟨10.1021/jp9045534⟩ Article dans une revue hal-00585543v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A new parameter-free correlation functional based on an average atomic reduced density gradient analysis V. Tognetti , P. Cortona , C. Adamo Journal of Chemical Physics, 2008, 128 (3), pp.034101. ⟨10.1063/1.2816137⟩ Article dans une revue hal-02273321v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Assessment of the TCA functional in computational chemistry and solid‑state physics E Fabiano , L.A. Constantin , A. Terentjevs , Fabio Della Sala , P. Cortona Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, ⟨10.1007/s00214-015-1740-5⟩ Article dans une revue hal-01260171v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Semiclassical atom theory applied to solid-state physics Lucian A Constantin , Aleksandrs A Terentjevs , Fabio Della Sala , Pietro Cortona , Eduardo A Fabiano Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93, pp.045126. ⟨10.1103/PhysRevB.93.045126⟩ Article dans une revue hal-01485745v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family Eric Brémond , D. Pilard , I. Ciofini , Henry Chermette , C. Adamo , et al. Theoretica Chimica Acta, 2012, 131, pp.1184. ⟨10.1007/S00214-012-1184-0⟩ Article dans une revue istex hal-00762130v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Classical to Quantum Transition of Heat Transfer between Two Silica Clusters S. Xiong , K. Yang , A. Kosevich , Y. Chalopin , R. d'Agosta , et al. Physical Review Letters, 2014, 112, pp.114301. ⟨10.1103/PhysRevLet.112.114301⟩ Article dans une revue hal-01053375v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response Eduardo Fabiano , Lucian A. Constantin , Pietro Cortona , Fabio Della Sala Journal of Chemical Theory and Computation, 2015, 11, pp.122-131. ⟨10.1021/ct500902p⟩ Article dans une revue hal-01258413v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cross sections for vibronic excitation of CH + by low-energy electron impact Xianwu Jiang , Chi Hong Yuen , Pietro Cortona , Mehdi Ayouz , Viatcheslav Kokoouline Physical Review A, 2019, 100 (6), ⟨10.1103/PhysRevA.100.062711⟩ Article dans une revue hal-02569729v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Towards a greater accuracy in DFT calculations From GGA to hybrid functionals J. Hermet , C. Adamo , P. Cortona Towards a greater accuracy in DFT calculations From GGA to hybrid functionals, Springer Netherlands, pp.3-15, 2012, 9789400749481; 9789400749474. ⟨10.1007/978-94-007-4948-1_1⟩ Chapitre d'ouvrage istex hal-02273317v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The performances of a parameter-free local correlation functional : The Ragot-Cortona model V. Tognetti , P. Cortona , C. Adamo Chemical Physics Letters, 2007, 439 (4-6), pp.381-385. ⟨10.1016/j.cplett.2007.03.081⟩ Article dans une revue istex hal-00176596v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrogen bond symmetrization and elastic constants under pressure of δ -AlOOH Pietro Cortona Journal of Physics: Condensed Matter, 2017, 29 (32), ⟨10.1088/1361-648x/aa791f⟩ Article dans une revue hal-01779597v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Note: Theoretical mixing coefficients for hybrid functionals P. Cortona Journal of Chemical Physics, 2012, 136, pp.086101. ⟨10.1063/1.3690462⟩ Article dans une revue hal-00684570v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Complementary aspects of charge and momentum density for the study of the chemical bond Pierre J. Becker , Jean-Michel Gillet , P. Cortona , S. Ragot Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2001, 105 (4-5), pp.284-291. ⟨10.1007/s002140000229⟩ Article dans une revue istex hal-02270613v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Correlation kinetic energy of many-electron systems: a modified Colle-Salvetti approach Sebastien Ragot , Pietro Cortona Journal of Chemical Physics, 2004, 121, pp.7671-7680. ⟨10.1063/1.1792153⟩ Article dans une revue hal-00122075v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Analysis of the MgO structure factors Jean-Michel Gillet , P. Cortona Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1999, 60 (12), pp.8569-8574. ⟨10.1103/PhysRevB.60.8569⟩ Article dans une revue hal-02270614v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Solid State Sciences, 2002, 4 (4), pp.467-474. ⟨10.1016/S1293-2558(02)01280-3⟩ Article dans une revue istex hal-02271913v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio calculations of ideal and defective bismuth telluride nanotubes Alex Pokropivny , Shiyun Xiong , Yurii Chumakov , Pietro Cortona , Sebastian Volz physica status solidi (b), 2015, 252, pp.517-520. ⟨10.1002/pssb.201451097⟩ Article dans une revue istex hal-01257686v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices Konstantinos Termentzidis , Alex Pokropivny , Michael Woda , Shiyun Xiong , Yuri Chumakov , et al. Journal of Applied Physics, 2013, 113 (1), ⟨10.1063/1.4772783⟩ Article dans une revue hal-01285861v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Assessing the Performances of Some Recently Proposed Density Functionals for the Description of Bond Dissociations Involving Organic Radicals V. Tognett , P. Cortona , C. Adamo International Journal of Quantum Chemistry, 2010, 110 (12), pp.2320-2329. ⟨10.1002/qua.22571⟩ Article dans une revue hal-00581730v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interconfigurational energies and ionization potentials Test of a correlation energy functional V. Tognetti , C. Adamo , P. Cortona Chemical Physics, 2007, 337 (1-3), pp.161-167. ⟨10.1016/j.chemphys.2007.07.002⟩ Article dans une revue istex hal-02271912v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the density-functional description of the electron affinities of Ca and Sc P. Cortona , G. Böbel , F.G. Fumi Journal de Physique, 1990, 51 (3), pp.243-246. ⟨10.1051/jphys:01990005103024300⟩ Article dans une revue istex jpa-00212364v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Increasing physical constraints and improving performances in a parameter-free GGA functional V. Tognetti , P. Cortona , C. Adamo Chemical Physics Letters, 2008, 460 (4-6), pp.536-539. ⟨10.1016/j.cplett.2008.06.032⟩ Article dans une revue istex hal-02273320v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio Calculation and Measurements of V2O5 Film Thermoelectric Properties Yurii Chumakov , S.-Y. Xiong , Javier Santos , Isabel Ferreira , K. Termentzidis , et al. Journal of Electronic Materials, 2013, 42 (7), pp.1597-1603. ⟨10.1007/s11664-012-2329-6⟩ Article dans une revue hal-01285864v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems Eduardo Fabiano , Pietro Cortona Computational Materials Science, 2023, 216, pp.111826. ⟨10.1016/j.commatsci.2022.111826⟩ Article dans une revue hal-04465689v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermoelectric transport in V2O5 thin films Yu. Chumakov , J.R. Santos , I. Ferreira , K. Termentzidis , A. Pokropivny , et al. 6th European Thermal Sciences Conference, Eurotherm 2012, Sep 2012, Poitiers, France. pp.012016, ⟨10.1088/1742-6596/395/1/012016⟩ Communication dans un congrès hal-02273314v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

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

Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd)

Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact

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

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

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

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

Assessment of the TCA functional in computational chemistry and solid‑state physics

Semiclassical atom theory applied to solid-state physics

Generalized gradient exchange functionals based on the gradient-regulated connection: a new member of the TCA family

Classical to Quantum Transition of Heat Transfer between Two Silica Clusters

Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response

Cross sections for vibronic excitation of CH + by low-energy electron impact

Towards a greater accuracy in DFT calculations From GGA to hybrid functionals

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

Hydrogen bond symmetrization and elastic constants under pressure of δ -AlOOH

Note: Theoretical mixing coefficients for hybrid functionals

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

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

Analysis of the MgO structure factors

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

Ab initio calculations of ideal and defective bismuth telluride nanotubes

Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices

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

Interconfigurational energies and ionization potentials Test of a correlation energy functional

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

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

Ab initio Calculation and Measurements of V2O5 Film Thermoelectric Properties

Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems

Thermoelectric transport in V2O5 thin films