Publications

  1. Electric field can induce dehydrogenation of azaacene layer
    T. Leoni, T. Lelaidier, A. Thomas, A. Ranguis, O. Siri, C. Attaccalite and C. Becker (2017)
  2. Optical properties of periodic systems within the current-current response framework: pitfalls and remedies
    D. Sangalli, A. Berger, C. Attaccalite, M. Gruning, P. Romaniello
    Phys. Rev. B, 95, 155203 (2017)
  3. Angular resolved electron energy loss spectroscopy in hexagonal boron nitride
    F. Fossard, L. Sponza, L. Schué, C. Attaccalite, F. Ducastelle, J. Barjon, A. Loiseau
    Phys. Rev. B 96, 115304 (2017)
  4. Which is the nature of the C-C complex in silicon? Insights from electronic structure calculations
    D. Timerkaeva, C. Attaccalite, G. Brenet, et al. (2017)
  5. Excitonic effects in third harmonic generation: the case of carbon nanotubes and nanoribbons
    C. Attaccalite, E. Cannuccia, M. Grüning
    Phys. Rev. B 95, 125403 (2017)
  6. Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X= S, Se, and Te)
    M Grüning, C Attaccalite
    Physical Chemistry Chemical Physics, 18, 2117 (2016)
  7. Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory
    M Grüning, D Sangalli, C Attaccalite

    Phys. Rev. B 94, 035149 (2016)

  8. Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation
    S. Körbel, D. Kammerlander, R. A. Sarmiento-Pérez, C. Attaccalite, M. A. L. Marques, and S. Botti
    Phys. Rev. B 91, 075134 (2015)
  9. Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body calculations
    C. Attaccalite, A. Nguer, E. Cannuccia and M. Grüning
    Phys. Chem. Chem. Phys., 17, 9533 (2015)
  10. Exploring approximations to the GW self-energy ionic gradients
    C. Faber, P. Boulanger, C. Attaccalite, I. Duchemin, E. Cannuccia, X. Blase
    Phys. Rev. B 91, 155109 (2015)
  11. Erratum: Second harmonic generation in h-BN and MoS2 monolayers: Role of electron-hole interaction [Phys. Rev. B 89, 081102(R) (2014)]
    M. Grüning and C. Attaccalite
    Phys. Rev. B 90, 199901 (2014)
  12. Second Harmonic Generation in h-BN and MoS2 monolayers: the role of electron-hole interaction
    M. Grüning, C. Attaccalite
    Phys. Rev. B 89, 081102(R) (2014)
  13. Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green’s function formalism
    C. Faber, P. Boulanger, C. Attaccalite, I. Duchemin and X. Blase
    Phil. Trans. R. Soc. A, vol. 372 no. 2011 (2014)
  14. Many-body Green’s function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide
    C. Faber, I. Duchemin, C. Attaccalite, T. Deutsch, X. Blase
    J. Chem. Phys. 139, 194308 (2013)
  15. Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible
    C. Attaccalite, L. Wirtz, A. Marini, A. Rubio
    Nature Scientific Reports 3, Article number: 2698 (2013)
  16. Trends in condensed matter physics: is research going faster and faster?
    C. Attaccalite and S. Barland
    Journal of Unsolved Questions, 3, 1, Articles 1-4, (2013)
  17. Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
    David Kammerlander, Silvana Botti, Miguel A. L Marques, Andrea Marini, C. Attaccalite
    Phys. Rev. B 86, 125203 (2012)
  18. Comment on “Electronic Structure of Superconducting KC8 and Nanosuperconducting LiC6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State from electron-phonon interaction.”
    M. Calandra, C. Attaccalite, G. Profeta and F. Mauri
    Phys. Rev. Lett. 108, 149701 (2012)
  19. Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
    C. Faber, I. Duchemin, T. Deutsch, C. Attaccalite, V. Olevano and X. Blase
    Journal of Materials Science, Volume 47, Number 21, Pages 7472-7481 (2012)
  20. Doped Graphene as Tunable Electron-Phonon Coupling Material (vol 10, pg 1172, 2010)(errata)
    C. Attaccalite, L. Wirtz, M. Lazzeri, F. Mauri, A. Rubio,
    Nano Letters 11, 914-914 (2011)
  21. A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation
    Claudio Attaccalite, Myrta Grüning and Andrea Marini
    Phys. Rev. B 84, 245110 (2011)
  22. Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach
    Xavier Blase and Claudio Attaccalite
    Appl. Phys. Lett. 99, 171909 (2011)
  23. Strong electronic correlation in hydrogen chains: a Variational Monte Carlo study
    Lorenzo Stella, Claudio Attaccalite, Sandro Sorella and Angel Rubio
    Phys. Rev. B 84, 245117 (2011)
  24. First-principles GW calculations for DNA and RNA nucleobases
    Carina Faber, Claudio Attaccalite, Valerio Olevano, Erich Runge and Xavier Blase
    Phys. Rev. B 83, 115123 (2011)
  25. First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
    Xavier Blase, Claudio Attaccalite, Valerio Olevano
    Phys. Rev. B 83, 115103 (2011)
  26. Coupling of excitons and defect states in BN nanostructures
    C. Attaccalite, M. Bockstedte, A. Marini, A. Rubio and L. Wirtz
    Phys. Rev. B 83, 144115 (2011)
  27. Strong charge-transfer excitonic effects and Bose-Einstein exciton-condensate in graphane
    Pierluigi Cudazzo, Claudio Attaccalite, Ilya V. Tokatly, Angel Rubio
    Phys. Rev. Lett. 104, 226804 (2010)
  28. Electronic structure and electron-phonon coupling of doped graphene layers in KC8
    A. Grüneis, C. Attaccalite, A. Rubio, D. V. Vyalikh, S. L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Brüchner, and T. Pichler
    Phys. Rev. B 79, 205106 (2009)
  29. Fermi velocity renormalization in doped graphene
    C. Attaccalite and A. Rubio
    Physica Status Solidi B, 246(11) 2523 (2009)
  30. Phonon surface mapping of graphite: disentangling quasi-degenerate phonon dispersions
    A. Grüneis, J. Serrano, A. Bosak, M. Lazzeri, S.L. Molodtsov, L. Wirtz, C. Attaccalite, M. Krisch, A. Rubio, F. Mauri, T. Pichler
    Phys. Rev. B 80,085423 (2009)
  31. Doped Graphene as Tunable Electron-Phonon Coupling Material
    C. Attaccalite, M. Lazzeri, L. Wirtz , A. Rubio and F. Mauri
    Nano Letters, 10(2) 1172 (2010)
  32. Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
    Michele Lazzeri , Claudio Attaccalite , Ludger Wirtz , and Francesco Mauri
    Phys. Rev. B 78, 081406(R) (2008)
  33. Preparation and electronic properties of potassium doped graphite single crystals
    A. Grüneis , C. Attaccalite, A. Rubio ,S.L. Molodtsov ,D.V. Vyalikh , J. Fink, R. Follath, T. Pichler
    Physica Status Solidi B 245, 2072 (2008)
  34. Ab-initio band structure of doped-graphene
    C. Attaccalite, A. Grüneis, T. Pichler and A.Rubio
    in preparation
  35. Angle-resolved photoemission study of the graphite intercalation compound KC8: A key to graphene
    A. Grüneis and C. Attacalite and D. Vyalikh and S. Molodtsov and J. Fink and W. Eberhardt and A.Rubio and T. Pichler
    Phys. Rev. B 80,075431 (2009)
  36. The Resonating-Valence-Bond Ground State of Li Nanoclusters
    L. Spanu, D. Nissenbaum, C. Attaccalite, B. Barbiellini and A. Bansil
    Phys. Rev. B 79, 035416 (2009)
  37. Comment on “Huge Excitonic Effects in Layered Hexagonal Boron Nitride”
    L. Wirtz, A. Marini, M. Grüning, C. Attaccalite<, G. Kresse and A. Rubio
    Phys. Rev. Lett. 100, 189701 (2008)
  38. Low energy quasiparticle dispersion of graphite by angle resolved photoemission spectroscopy
    A. Grüneis, T. Pichler, H. Shiozawa, C. Attaccalite, L. Wirtz, and A. Rubio
    Physica Status Solidi, 244 (11), pg. 528 (2007)
  39. Absorption of BN nanotubes under the influence of a perpendicular electric field
    C. Attaccalite L. Wirtz, A. Marini and A. Rubio
    Physica Status Solidi, 244, 4288-4292 (2007)
  40. Tight-binding description of the quasiparticle dispersion of graphite and few-layer
    A. Grüneis, C. Attaccalite, L. Wirtz, H. Shiozawa, R. Saito, T. Pichler , A. Rubio
    Phys. Rev. B 78 205425 (2008)
  41. Electron-electron correlation in graphite
    A. Grüneis, C. Attaccalite et al. ,
    Phys. Rev. Lett. 100, 037601 (2008).
  42. Stable liquid hydrogen at high pressure by a novel ab-initio molecular-dynamics calculation
    C. Attaccalite and S. Sorella
    Phys. Rev. Lett. 100 , 114501 (2008)
  43. Resonating valence bond wave function: from lattice models to realistic systems
    Casula M, Yunoki S, C. Attaccalite, et al.
    COMPUTER PHYSICS COMMUNICATIONS 169 (1-3): 386-393 JUL 1 2005
  44. Correlated geminal wave function for molecules: An efficient resonating valence bond approach
    Casula M, C. Attaccalite,S. Sorella
    JOURNAL OF CHEMICAL PHYSICS 121 (15): 7110-7126 OCT 15 2004
  45. Properties of Gutzwiller wave functions for multiband models
    C. Attaccalite Fabrizio M.
    Phys. Rev.  B 68 (15): Art. No. 155117 OCT 15 2003
  46. Correlation energy and spin polarization in the 2D electron gas (errata)
    C. Attaccalite, Moroni S, Gori-Giorgi P and G. Bachelet
    PHYSICAL REVIEW LETTERS 91 (10): Art. No. 109902 SEP 5 2003
  47. Two-dimensional electron gas: Correlation energy versus density and spin polarization
    Gori-Giorgi P, C. Attaccalite, Moroni S, and G. Bachelet
    International Journal of Quantum Chemistry91 (2): 126-130 JAN 15 2003
  48. Correlation energy and spin polarization in the 2D electron gas
    C. Attaccalite, Moroni S, Gori-Giorgi P and G. Bachelet
    PHYSICAL REVIEW LETTERS 88 (25): Art. No. 256601 JUN 24 2002

Patents

  1. Light emitting source and method for emitting light based on boron nitride nanotubes
    A. Rubio, C. Attaccalite, L. Wirtz
    WO/2012/113955

Thesis

  1. Non-linear response in extended systems: a real-time approach
    Habilitation à Diriger des Recherches (HDR), Marseille France (2016)
  2. RVB phase of hydrogen at high pressure: towards the first ab-initio Molecular Dynamics by Quantum Monte Carlo PDF, HTML
    C. Attaccalite, PhD THESIS: SISSA/ISAS Trieste Italy, 2005
  3. Metal-superconductive-insulator transition in multiband Hubbard model within the Gutzwiller wave functions
    C. Attaccalite, MASTER THESIS: SISSA/ISAS, Trieste, 2002
  4. Energia di correlazione, diagramma di fase del gas 2D.
    C. Attaccalite, BACHELOR THESIS: “La Sapienza” University 2001