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The localization spread and polarizability of rings and periodic chains
Celestino Angeli
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
,
Arjan Berger
Article dans une revue
hal-03524411v1
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Full-configuration-interaction study of the metal-insulator transition in a model system: Hn linear chains n=4, 6,..., 16
Gian Luigi Bendazzoli
,
Stefano Evangelisti
,
Antonio Monari
Article dans une revue
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hal-00873685v1
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Distributed Gaussian orbitals for molecular calculations: application to simple systems
Stefano Battaglia
,
David Bouet
,
Alexis Lecoq
,
Stefano Evangelisti
,
Noelia Faginas Lago
,
et al.
Article dans une revue
hal-02156091v1
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Clifford boundary conditions for periodic systems: the Madelung constant of cubic crystals in 1, 2 and 3 dimensions
Nicolas Tavernier
,
Gian Luigi Bendazzoli
,
Véronique Brumas
,
Stefano Evangelisti
,
Arjan Berger
Article dans une revue
hal-03342538v1
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Tuning the magnetic properties of beryllium chains
Stefano Battaglia
,
Noelia Faginas Lago
,
Thierry Leininger
,
Stefano Evangelisti
Article dans une revue
hal-02128292v1
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A theoretical study of linear beryllium chains: full configuration interaction.
Valentina Vetere
,
Antonio Monari
,
Anthony Scemama
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
Article dans une revue
hal-00875603v1
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Introduction to Quantum Integrability
Anastasia Doikou
,
Stefano Evangelisti
,
Giovanni Feverati
,
Nikos Karaiskos
Article dans une revue
hal-00612843v1
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Local orbitals for quasi-degenerate systems
Stefano Evangelisti
,
Nathalie Guihéry
,
Thierry Leininger
,
Jean-Paul Malrieu
,
Daniel Maynau
,
et al.
Journal of Molecular Structure: THEOCHEM, 2004, 709, pp.1
Article dans une revue
hal-00907791v1
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On Some Attempts to Generalize the Effective Hamiltonian Approach
Jean-Louis Heully
,
Stefano Evangelisti
,
Philippe Durand
Article dans une revue
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jpa-00248144v1
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Exchange interactions in [2 × 2] Cu(II) grids: on the reliability of the fitting spin models
Carmen J Calzado
,
Stefano Evangelisti
Article dans une revue
hal-00920824v1
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Full Configuration-Interaction Study on the Tetrahedral Li4 Cluster
Antonio Monari
,
Jose Pitarch-Ruiz
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
,
Jose Sanchez-Martin
Article dans une revue
hal-00951667v1
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Mixed Valence Character of Anionic Linear Beryllium Chains: A CAS-SCF and MR-CI Study †
Mariachiara Pastore
,
Antonio Monari
,
Stefano Evangelisti
,
Thierry Leininger
Article dans une revue
hal-02395189v1
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The Wigner localization of interacting electrons in a one-dimensional harmonic potential
Xabier Telleria-Allika
,
Miguel Escobar Azor
,
Grégoire François
,
Gian Luigi Bendazzoli
,
Jon M Matxain
,
et al.
Article dans une revue
hal-03885863v1
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Coupled-Cluster study of 'no-pair' bonding in the tetrahedral Cu4 cluster
Marco Verdicchio
,
Stefano Evangelisti
,
Thierry Leininger
,
José Sánchez-Marín
,
Antonio Monari
Article dans une revue
istex
hal-00872605v1
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Full-Configuration-Interaction Calculation on Be_3
Stefano Evangelisti
,
J.-M. Junquera-Hernandez
,
J. Sanchez-Marin
,
G.L. Bendazzoli
Journal of Physical Chemistry A, 2004, 120, pp.8405
Article dans une revue
hal-00003457v1
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The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction
Celestino Angeli
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
Article dans une revue
hal-00874085v1
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A theoretical study of closed polyacene structures.
Muammar El Khatib
,
Stefano Evangelisti
,
Thierry Leininger
,
Gian L. Bendazzoli
Article dans une revue
hal-00872622v1
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Electronic description using both localized and delocalized orbitals: application to a transition metal system
Nicolas Suaud
,
Gustavo Pastor
,
Stefano Evangelisti
,
Daniel Maynau
Article dans une revue
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hal-00907098v1
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Spherical aromaticity and electron delocalization in C8 and B4N4 cubic systems
Buse Chaglayan
,
Ahmad W. Huran
,
Nadia Ben Amor
,
Véronique Brumas
,
Stefano Evangelisti
,
et al.
Article dans une revue
hal-01957267v1
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Spin delocalization in hydrogen chains described with the spin-partitioned total position-spread tensor
Muammar El Khatib
,
Oriana Brea
,
Edoardo Fertitta
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
,
et al.
Article dans une revue
hal-01149009v1
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Distributed Gaussian orbitals for the description of electrons in an external potential
Léa Brooke
,
Alejandro Diaz-Marquez
,
Stefano Evangelisti
,
Thierry Leininger
,
Pierre-François Loos
,
et al.
Article dans une revue
hal-01858536v1
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Theoretical Study of BeN Linear Chains: Optimized Geometries and Harmonic Frequencies
Antonio Monari
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
Article dans une revue
hal-00873052v1
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On the triplet ground state of tetrahedral X4 clusters (X = Li, Na, K, Cu).
Marco Verdicchio
,
Stefano Evangelisti
,
Thierry Leininger
,
Antonio Monari
Article dans une revue
hal-00872616v1
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FORTRAN interface for code interoperability in quantum chemistry: The Q5Cost library
Stefano Borini
,
Antonio Monari
,
E. Rossi
,
A. Tajti
,
Celestino Angeli
,
et al.
Article dans une revue
istex
hal-00975402v1
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Conical intersection properties unraveled by the position spread tensor
Alekos Segalina
,
Antonio Francés-Monerris
,
Mariachiara Pastore
,
Thierry Leininger
,
Stefano Evangelisti
,
et al.
Article dans une revue
hal-02395774v1
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Mapping of Hückel zigzag carbon nanotubes onto independent polyene chains: Application to periodic nanotubes
Grégoire François
,
Celestino Angeli
,
Gian Luigi Bendazzoli
,
Véronique Brumas
,
Stefano Evangelisti
,
et al.
Article dans une revue
hal-04250862v1
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Cooperative modelling and design on the computing grid: data, flux and knowledge interoperability
Antonio Lagana
,
Elda Rossi
,
Stefano Evangelisti
Article dans une revue
hal-00874134v1
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Accurate ground-state energies of Wigner crystals from a simple real-space approach
Estefania Alves
,
Gian Luigi Bendazzoli
,
Stefano Evangelisti
,
Arjan Berger
Article dans une revue
hal-03281185v1
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Local Orbitals in Quantum Chemistry
Nadia Ben Amor
,
Stefano Evangelisti
,
Thierry Leininger
,
Dirk Andrae
Eva Perlt. Basis Sets in Computational Chemistry, 107, Springer International Publishing, pp.41 - 101, 2021, Lecture Notes in Chemistry, 978-3-030-67261-4. ⟨10.1007/978-3-030-67262-1_3⟩
Chapitre d'ouvrage
hal-03761075v1
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Q5Cost format and library: a tutorial about the common format for quantum chemistry interoperability
Antonio Monari
,
Anthony Scemama
,
Stefano Evangelisti
,
Elda Rossi
Laganà, Antonio. ICTP, 24, pp.103-124, 2008, Lecture notes, 929500342X
Ouvrages
hal-01539074v1
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