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Publications

About Yambo

The primary reference for Yambo is the article:

Yambo: an ab initio tool for excited state calculations
Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano
Comp. Phys. Comm. 180, 1392 (2009). [pdf]

Auxililary material: Sample input files and databases needed to run the basic calculations described in the paper are distributed with the code. To reproduce the more demanding well-converged spectra shown in Fig. 8, users can download from here (size 20 Mb) the Abinit and Yambo input files and the Yambo databases directly.

Using Yambo

Below is a list of publications that have made use of Yambo (or as it was known originally, SELF). If you have any additions to the list, please mail yambo@yambo-code.org,

Publications by year

2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001

  • 2012
  • 132
  • Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems
  • Hannes Hübener, Miguel A. Pérez-Osorio, Pablo Ordejón, Feliciano Giustino
  • arXiv
  • 131
  • Characterization of TiO2 Atomic Crystals for Nanocomposite Materials Oriented to Optoelectronics
  • L. Chiodo, A. Massaro, S. Laricchia, F. Della Sala, R. Cingolani, M. Salazar, A. H. Romero, A. Rubio
  • Optical And Quantum Electronics (2012)
  • Download
  • 130
  • Two dimensional-like TiO2 nanostructures: electronic and optical properties from first-principles
  • M. Palummo, G. Giorgi, L. Chiodo, A. Rubio,, K. Yamashita
  • ACS Nano (2012)
  • Download
  • 129
  • Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
  • Carina Faber, Ivan Duchemin, Thierry Deutsch, Claudio Attaccalite, Valerio Olevano and Xavier Blase
  • Journal of Materials Science (2012)
  • Download
  • 128
  • Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems
  • Dario Rocca, Yuan Ping, Ralph Gebauer, and Giulia Galli
  • Phys. Rev. B 85, 045116 (2012)
  • Link to the publisher
  • 127
  • First-principles study of the electronic and optical properties of ZnO and ZnS wurtzite nanoclusters
  • G. Malloci, L. Chiodo, A. Rubio, A. Mattoni
  • Download
  • 126
  • Absence of Metallization in Solid Molecular Hydrogen
  • Sam Azadi, Thomas D. Kühne
  • arXiv
  • 125
  • Large Excitonic Effects in the Optical Properties of Monolayer MoS2
  • Thomas Olsen, Karsten W. Jacobsen, Kristian S. Thygesen
  • arXiv
  • 124
  • Organic Molecules on Wide-Gap Insulators: Electronic Excitations
  • Wei Chen, Christoph Tegenkamp, Herbert Pfnür
  • arXiv
  • 123
  • Self-energy effects on the electronic gap of Ge and Si nanocrystals
  • M. Marsili, S. Botti, M. Palummo, E. Degoli, O. Pulci, M.A.L. Marques, S. Ossicini, R. Del Sole
  • submitted to Phys. Rev. B (2012)
  • Download
  • 122
  • Electronic excitations in solar cells from GW approaches
  • S. Botti and J. Vidal
  • in "Computational Approaches to Energy Materials", edited by R. Catlow, A. Sokol and A. Walsh (Wiley-Blackwell, Oxford) (2012)
  • Download

  • 2011
  • 121
  • Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics
  • Seung Kyu Min, Yeonchoo Cho, and Kwang S. Kim
  • J. Chem. Phys. 135, 244112 (2011)
  • Link to the publisher
  • 120
  • Simulation of valence EELS and Optical Response Functions from First Principles
  • V. Keasta, R. Burgessa and D. Walton
  • Microscopy and Microanalysis, 17, 772(2011)
  • Link to the publisher
  • 119
  • Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics
  • Chiodo, L. Massaro, A. Cingolani, R. Romero, A. Rubio, A.
  • Proceeding of the 11th Internationa0l Conference NUSOD 2011, 8, 157 (2011)
  • Link to the publisher
  • 118
  • Electron-ion dynamics in laser-assisted desorption of hydrogen atoms from H-Si(111) surface
  • Sergiy Bubin and Kàlmàn Varga
  • J. Appl. Phys. 110, 064905 (2011)
  • Link to the publisher
  • 117
  • Plasmon dispersion in molecular solids: Picene and potassium-doped picene
  • Pierluigi Cudazzo, Matteo Gatti, Friedrich Roth, Benjamin Mahns, Martin Knupfer, and Angel Rubio
  • Phys. Rev. B 84, 155118 (2011)
  • 116
  • TiO2 atomic clusters, from structural to optical properties: an ab initio study
  • L. Chiodo, M. Salazar. A. Romero, S. Laricchia, F. Della Sala, A. Rubio
  • J. Chem. Phys. 135, 244704 (2011)
  • Link to the publisher
  • 115
  • Strong excitonic and vibronic effects determine the optical properties of Li2O2
  • J. M. Garcia-Lastra, J. D. Bass, and K. S. Thygesen
  • J. Chem. Phys. 135, 121101 (2011)
  • Link to the publisher
  • 114
  • Scaling of Excitons in Graphene Nanoribbons with Armchair Shaped Edges
  • Xi Zhu and Haibin Su
  • J. Phys. Chem. A, 115 ,11998 (2011)
  • DOI: 10.1021/jp202787h
  • 113
  • A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation
  • C. Attaccalite, M. Grüning, A. Marini
  • Phys. Rev. B 84, 245110 (2011)
  • arXiv
  • 111
  • Optical properties of boron nitride nanoribbons: Excitonic effects
  • Shudong Wang, Qian Chen, and Jinlan Wang
  • Appl. Phys. Lett. 99, 063114 (2011)
  • 110
  • Auger recombination in Si and GaAs semiconductors: Ab initio results
  • Marco Govoni, Ivan Marri, and Stefano Ossicini
  • Phys. Rev. B 84, 075215 (2011)
  • 109
  • Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment
  • Guangfu Luo et al.
  • Phys. Rev. B 84, 075439 (2011)
  • 108
  • Bootstrap approximation for the exchange-correlation kernel of time-dependent density functional theory
  • S. Sharma, J. K. Dewhurst, A. Sanna, E. K. U. Gross
  • Phys. Rev. Lett. 107, 186401 (2011)
  • arXiv
  • 106
  • Free Physics Software: Yambo Code, Step, Cern Program Library, Abinit, Cp2k
  • Books LLC
  • Link to publisher
  • 105
  • Effect of the quantistic zero-point atomic motion on the opto-electronic properties of diamond and trans-polyacetylene
  • Elena Cannuccia, Andrea Marini
  • Phys. Rev. Lett. 107, 255501 (2011)
  • arXiv
  • 104
  • Excitons at the (001) surface of anatase: spatial behaviour and optical signatures
  • G. Giorgi, M. Palummo, L. Chiodo, K. Yamashita
  • Phys. Rev. B 84, 073404 (2011)
  • Download
  • 103
  • Coexistence of Negatively and Positively Buckled Isomers on n+-Doped Si(111)-2×1
  • G. Bussetti et al.
  • Phys. Rev. Lett. 106, 067601 (2011)
  • Link to publisher
  • 102
  • Local-field and excitonic effects in the optical response of α-alumina
  • A. G. Marinopoulos and Myrta Grüning
  • Phys. Rev. B 83, 195129 (2011)
  • Link to publisher
  • 101
  • Excitonic properties of hydrogen saturation-edged armchair graphene nanoribbons
  • Min Wang and Chang Ming Li
  • Nanoscale, 3, 2324-2328 (2011)
  • Link to publisher
  • 100
  • Quantum-dot states and optical excitations in edge-modulated graphene nanoribbons
  • Deborah Prezzi, Daniele Varsano, Alice Ruini, Elisa Molinari
  • Phys. Rev. B 84, 041401(R) (2011)
  • Link to publisher
  • 99
  • Role of surface structural motifs on the stability and reflectance anisotropy spectra of Sb-rich GaSb(001) reconstructions
  • Conor Hogan, Rita Magri, and Rodolfo Del Sole
  • Phys. Rev. B 83, 155421 (2011)
  • Link to publisher
  • 98
  • Linear density response function in the projector-augmented wave method: Applications to solids, surfaces, and interfaces
  • Jun Yan, Jens. J. Mortensen, Karsten W. Jacobsen, Kristian S. Thygesen
  • Phys. Rev. B 83, 245122 (2011)
  • arXiv
  • 97
  • 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)
  • 96
  • Electronic Shell Structures of Russian-Doll-Style Sc4C2@C80
  • Zhifan Chena, Cherno B. Kaha and Xiao-Qian Wang
  • Chemical Physics Letters, 506, 230(2011)
  • Link to publisher
  • 95
  • Stability and electronic structure of hydrogen passivated few atomic layer silicon films: A theoretical exploration
  • Shudong Wang, Liyan Zhu, Qian Chen, Jinlan Wang, and Feng Ding
  • J. Appl. Phys. 109, 053516 (2011)
  • Link to publisher
  • 94
    • Stacking-dependent optical spectra and many-electron effects in bilayer graphene
  • Zhifan Chen and Xiao-Qian Wang
  • Phys. Rev. B 83, 081405(R) (2011)
  • Link to publisher
  • 93
    • Structural and Electronic Properties of Fluorographene
  • Duminda K. Samarakoon, Zhifan Chen, Chantel Nicolas, Xiao-Qian Wang
  • Small, 7, 965–969, (2011)
  • Link to publisher
  • 92
  • Implementation and testing of Lanczos-based algorithms for Random-Phase Approximation eigenproblems
  • Myrta Grüning, Andrea Marini, Xavier Gonze
  • Computational Materials Science 50 (2011) 2148–2156.
  • Download
  • 91
  • First-principles study of the band structure and optical absorption of CuGaS2
  • I. Aguilera, J. Vidal, P. Wahnón, L. Reining, and S. Botti
  • Phys. Rev. B 84, 085145 (2011)
  • Download
  • 90
  • Double excitations in correlated systems: A many–body approach
  • D. Sangalli, P. Romaniello, G. Onida, and A. Marini
  • J. Chem. Phys., 134 034115 (2011).
  • WEB, Download
  • 89
  • Coupling of excitons and defect states in boron-nitride nanostructures
  • C. Attaccalite, M. Bockstedte, A. Marini, A. Rubio, L. Wirtz
  • Phys. Rev. B 83, 144115 (2011)
  • WEB, Download
  • 88
  • Reduction of Charge Transfer Excitations and Exciton Binding Energies in Molecules at Metal Surfaces: First-Principles Calculations
  • Juan Maria Garcia-Lastra, Kristian S. Thygesen
  • Phys. Rev. Lett. 106, 187402 (2011)
  • arXiv
  • 87
  • Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride
  • S. Galambosi, L. Wirtz, J. A. Soininen, J. Serrano, A. Marini, S. Huotari, A. Rubio,, K. Hämäläinen
  • Phys. Rev. B 83, 081413(R) (2011).
  • Download

  • 2010
  • 86
  • Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory
  • Rocca D., Lu D., Galli G.
  • J. Chem. Phys. 133(16) 164109 (2010)
  • Link to publisher
  • 85
  • Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT
  • Carlo Motta, Matteo Giantomassi, Marco Cazzaniga, Katalin Gaál-Nagy, Xavier Gonze
  • Computational Materials Science 50, 698(2010)
  • Link to publisher
  • 84
  • Excitons of Edge and Surface Functionalized Graphene Nanoribbons
  • Xi Zhu and Haibin Su
  • J. Phys. Chem. C, 41, 17257(2010)
  • Link to publisher
  • 83
  • Electronic properties of molecular solids: the peculiar case of solid Picene
  • Friedrich Roth, Matteo Gatti, Pierluigi Cudazzo, Mandy Grobosch, Benjamin Mahns, Bernd Büchner, Angel Rubio, Martin Knupfer
  • New J. Phys. 12, 103036(2010)
  • arXive
  • 82
  • First-principles investigation of graphene fluoride and graphane
  • O. Leenaerts, H. Peelaers, A. D. Hernandez-Nieves, B. Partoens, F. M. Peeters
  • Phys. Rev. B 82, 195436(2010)
  • arXive
  • 81
  • The fascinating physics of carbon surfaces: first-principles study of hydrogen on C(0 0 1), C(1 1 1) and graphene
  • Margherita Marsili and Olivia Pulci
  • J. Phys. D: Appl. Phys. 43 374016 (2010)
  • Link to publisher
  • 80
  • Ab initio optoelectronic properties of SiGe nanowires: Role of many-body effects
  • Palummo M., Amato M., Ossicini S.
  • Phys. Rev. B 82, 073305 (2010),
  • Link to publisher
  • 79
  • Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results
  • Stefano Ossicini, Michele Amato, Roberto Guerra, Maurizia Palummo and Olivia Pulci
  • Nanoscale Res. Lett. 5, 10 1637-1649 (2010)
  • Link to publisher
  • 78
  • Quasiparticle and Optical Properties of Rutile and Anatase TiO$_{2}$
  • Wei Kang, Mark S. Hybertsen
  • Phys. Rev. B 82,085203 (2010)
  • arXive
  • 77
  • Many-body effects on the electronic and optical properties of Si nanowires from ab-initio approaches
  • M. Palummo, S. Ossicini , and R. Del Sole
  • Physica Status Solidi B, 247, 2089(2010)
  • Download
  • 76
  • Convergence study of neutral and charged defect formation energies in Si nanowires
  • R. Rurali, M. Palummo, X. Cartoixa
  • Phys. Rev. B 81, 235304 (2010)
  • Download
  • 75
  • Spontaneous formation of surface antisite defects in the stabilization of the Sb-rich GaSb(001) surface
  • Conor Hogan, Rita Magri, Rodolfo Del Sole
  • Phys. Rev. Lett. 104, 157402 (2010)
  • 74
  • Oxidation of dimers at the Si(100) surface studied by first-principles simulation of high-resolution EELS
  • L. Caramella, C. Hogan, G. Onida, R. Del Sole
  • Phys. Status Solidi B, 247, 1946 (2010)
  • Link to publisher
  • 73
  • Optical properties of GaSb(001)--c(2x6): the role of surface antisite defects
  • Conor Hogan, Rita Magri, Rodolfo Del Sole
  • Phys. Status Solidi B, 247, 1960 (2010)
  • Link to publisher
  • 72
  • Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes
  • Carlo Motta, Marco Cazzaniga, Andrea Bordoni, Katalin Gaal-Nagy
  • arXive
  • 71
  • Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases
  • Letizia Chiodo, Juan Maria García-Lastra, Amilcare Iacomino, Stefano Ossicini, Jin Zhao, Hrvoje Petek, Angel Rubio
  • Phys. Rev. B 82, 045207 (2010)
  • Link to publisher
  • 70
  • Structure and optical properties of the Sb-stabilized GaSb(001) surface
  • Conor Hogan, Rita Magri, Rodolfo Del Sole
  • Proceedings of the 12th International Conference on the Formation of Semiconductor Interfaces (ICFSI-12)
    phys. stat. sol (c) 7(2) 177 (2010)
  • Link to publisher
  • 69
  • Anomalous molecular orbital variation upon adsorption on wide band gap insulator
  • Wei Chen, Christoph Tegenkamp, Herbert Pfnür, Thomas Bredow
  • J. Chem. Phys. 132, 214706 (2010)
  • arXive
  • 68
  • Giant excitonic exchange splitting in Si nanowires
  • M. Palummo, F. Iori, R. Del Sole, S.Ossicini
  • Physical Review B 81, 121303(R) (2010)
  • Download
  • 67
  • Designing materials for plasmonic systems
  • Martin G. Blaber, Matthew D. Arnold, Michael J. Ford
  • J. Phys.: Condens. Matter 22 095501, (2010).
  • Download
  • 66
  • Elementary oxygen electrode reactions in the aprotic Li-air battery
  • J. S. Hummelshøj, J. Blomqvist, S. Datta, T. Vegge, J. Rossmeisl, K. S. Thygesen, A. C. Luntz, K. W. Jacobsen, and J. K. Nørskov
  • J. Chem. Phys. 132, 071101 (2010)
    Download
  • 65
  • Strong charge-transfer excitonic effects and Bose-Einstein exciton-condensate in graphane
  • Pierluigi Cudazzo, Claudio Attaccalite, Ilya V. Tokatly, and Angel Rubio
  • Phys. Rev. Lett. 104, 226804 (2010).
  • Download
  • 64
  • Test of long-range exchange-correlation kernels of time-dependent density functional theory at surfaces: Application to Si(111)2x1
  • Pulci, O. and Marini, A. and Palummo, M. and Del Sole, R.
  • Phys. Rev. B 82, 205319 (2010).
  • Link to publisher
  • 63
  • Many body effects in the excitation spectrum of a defect in SiC
  • M. Bockstedte, A. Marini, O. Pankratov, A. Rubio
  • Phys. Rev. Lett. 105, 026401 (2010)
  • Download
  • 62
  • Excitonic effects in the optical properties of CdSe nanowires
  • J. G. Vilhena, S. Botti, M. A. L. Marques
  • Appl. Phys. Lett. 96, 123106 (2010)
  • arXive
  • 60
  • Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si
  • M. Grüning, R. Shaltaf, G.-M. Rignanese
  • Phys. Rev. B 81, 035330 (2010)
  • arXive
  • 58
  • Graphene on metals: a Van der Waals density functional study
  • M. Vanin, J. J. Mortensen, A. K. Kelkkanen, J. M. Garcia-Lastra, K. S. Thygesen, K. W. Jacobsen
  • Phys. Rev. B 81, 081408(R) (2010)
  • arXive
  • 57
  • Tailoring electronic and optical properties of TiO2: nanostructuring, doping and molecular-oxide interactions
  • Chiodo, L., García-Lastra, J. M., Mowbray, D. J., Iacomino, A., Rubio, A
  • Computational Studies of New Materials: From Nanostructures to Bulk Energy Conversion Materials, Ed. T. F. George, D. Jelski, R. R. Letfullin and G. Zhang, World Scientific (2010)
  • arXive
  • 56
  • Optical to UV Spectra of Sandwiches of Benzene and Transition Metal Atoms.Time Dependent DFT and Many-body Calculations
  • J.I. Martínez, J.M. García-Lastra, M.J. López, J.A. Alonso
  • Journal of Chemical Physics 132, 044314 (2010)
  • Download
  • 55
  • Image Charge Effects on Molecular Electronic Levels at Different Surfaces
  • J. M. Garcia-Lastra, A. Rubio, K. S. Thygesen
  • arXive

  • 2009
  • 54
  • High-resolution electron energy loss spectra of reconstructed Si(100) surfaces: First-principles study
  • Lucia Caramella, Conor Hogan, Giovanni Onida, and Rodolfo Del Sole
  • Phys. Rev. B 79, 155447 (2009)
  • Link to publisher
  • 53
  • Theory of dielectric screening and electron energy loss spectroscopy at surfaces
  • Conor Hogan, Maurizia Palummo and Rodolfo Del Sole
  • Comptes Rendus Physique, 10, 560 (2009)
  • Link to publisher
  • 52
  • Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches
  • M. Palummo, F. Iori, R. Del Sole and S. Ossicini
  • Superlattices and Microstructures, 46, 234 (2009)
  • 51
  • Ab-initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation
  • Maurizia Palummo, Conor Hogan, Francesco Sottile, Paolo Bagalá, and Angel Rubio
  • J. Chem. Phys. 131, 084102 (2009)
  • Download
  • 50
  • Electronic, vibrational, and superconducting properties of CaBeSi: First-principles calculations
  • C. Bersier, A. Floris, A. Sanna, G. Profeta, A. Continenza, E. K. U. Gross, and S. Massidda
  • Phys. Rev. B 79, 104503 (2009)
  • Download
  • 49
  • Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping
  • D. J. Mowbray, J. I. Martinez, J. M. Garcia Lastra, K. S. Thygesen and K. W. Jacobsen
  • J. Phys. Chem. C, 113 (28), pp 12301–12308 (2009)
  • Download
  • 48
  • Fermi velocity renormalization in doped graphene
  • C. Attaccalite, and A. Rubio
  • Physica Status Solidi B, 246(11) 2523 (2009)
  • Download
  • 47
  • Optical and Vibrational Properties of Boron Nitride Nanotubes
  • L. Wirtz and A. Rubio
  • Springer Lecture Notes in Nanoscale Science and Technology 6, 105 - 148 (2009)
  • Download
  • 46
  • Ab-initio band structure of doped graphene
  • C. Attaccalite, A. Grüeneis, T. Pichler, A. Rubio
  • arXive
  • 45
  • Defects Identified in SiC and Their Implications
  • M Bockstedte, A. Marini, A. Gali, O. Pankratov and A. Rubio
  • Silicon Carbide and Related Materials 2007, Book Series: Materials Science Forum 600, 285 - 290 (2009)
  • Download
  • 44
  • Multiband superconductivity in Pb, H under pressure and CaBeSi from ab-initio calculations
  • C. Bersier, A. Floris, P. Cudazzo, G. Profeta, A. Sanna, F. Bernardini, M. Monni, S. Pittalis, S. Sharma, H. Glawe, A. Continenza, S. Massidda, E.K.U. Gross
  • J. Phys. Condens. Matter 21, 164209 (2009)
  • arXive
  • 43
  • Phonon surface mapping of graphite: disentangling quasi-degenerate phonon dispersions
  • A. Grüneis, C. Attaccalite, A. Rubio, D. V. Vyalikh, S. L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner, and T. Pichler
  • Phys. Rev. B 80,085423 (2009)
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  • 42
  • Role of Coulomb interaction in the superconducting properties of CaC6 and H under pressure
  • S. Massidda, F. Bernardini, C. Bersier, A. Continenza, P. Cudazzo, A. Floris, H. Glawe, M. Monni, S. Pittalis, G. Profeta, A. Sanna, S. Sharma, E.K.U. Gross
  • Supercond. Sci. Technol. 22 034006(2009)
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  • 41
  • Exciton-plasmon states in nanoscale materials: breakdown of the Tamm-Dancoff approximation
  • M. Grüning, A. Marini and X. Gonze
  • Nano Letters, 9, 2820 (2009)
  • Download
  • 40
  • Angle-resolved photoemission study of the graphite intercalation compound KC8: A key to graphene
  • A. Grüneis, C. Attaccalite, A. Rubio, D. V. Vyalikh, S. L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner, and T. Pichler
  • Phys. Rev. B 80,075431 (2009)
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  • 39
  • 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. Büchner, and T. Pichler
  • Phys. Rev. B 79, 205106 (2009)
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  • 38
  • Reduced quantum confinement effect and electron-hole separation in SiGe nanowires
  • Michele Amato Maurizia Palummo and Stefano Ossicini
  • Phys. Rev. B 79, 201302(R) (2009)
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  • 37
  • Reflectance-anisotropy spectroscopy and surface differential reflectance spectra at the Si(100) surface: Combined experimental and theoretical study
  • M. Palummo, N. Witkowski, O. Pluchery, R. Del Sole, and Y. Borensztein
  • Phys. Rev. B 79, 035327 (2009).
  • Download

  • 2008
  • 36
  • Ab Initio finite temperature excitons
  • A. Marini
  • Phys. Rev. Lett. 101, 106405 (2008).
  • Download
  • 35
  • Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene
  • A. Gruneis, C. Attaccalite, L. Wirtz, H. Shiozawa, R. Saito, T. Pichler, and A. Rubio
  • Phys. Rev. B 78, 205425 (2008).
  • Download
  • 34
  • Optical saturation driven by exciton confinement in molecular-chains: a TDDFT study
  • D. Varsano, A. Marini, and A. Rubio.
  • Phys. Rev. Lett. 101, 133002 (2008)
  • Download
  • 33
  • Ab Initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen
  • P. Cudazzo, G. Profeta, A. Sanna, A. Floris, A. Continenza, S. Massidda, and E. K. U. Gross
  • Phys. Rev. Lett. 100, 257001 (2008).
  • Download
  • 32
  • Electron-Electron Correlation in Graphite: A Combined Angle-Resolved Photoemission and First-Principles Study
  • A. Gruneis, C. Attaccalite, T. Pichler, V. Zabolotnyy, H. Shiozawa, S. L. Molodtsov, D. Inosov, A. Koitzsch, M. Knupfer, J. Schiessling, R. Follath, R. Weber, P. Rudolf, L. Wirtz, and A. Rubio
  • Phys. Rev. Lett. 100, 037601 (2008)
  • Download
  • 31
  • Impact of the electron-electron correlation on phonon dispersion: Failure of LDA and GGA DFT functionals in graphene and graphite
  • Michele Lazzeri, Claudio Attaccalite, Ludger Wirtz, and Francesco Mauri
  • Phys. Rev. B 78, 081406(R) (2008)
  • Download
  • 30
  • Comment on "Huge Excitonic Effects in Layered Hexagonal Boron Nitride"
  • L. Wirtz, A. Marini, M. Gruning, C. Attaccalite, G. Kresse, and A. Rubio,
  • Phys. Rev. Lett. 100, 189701 (2008).
  • Download
  • 29
  • Many-body corrections and optical properties of graphene nanoribbons
  • D. Prezzi, D. Varsano, A. Ruini, A. Marini, and E. Molinari,
  • Phys. Rev. B 77, 041404(R) (2008)
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  • 2007
  • 28
  • Time-dependent density-functional theory for extended systems
  • Silvana Botti, Arno Schindlmayr, Rodolfo Del Sole and Lucia Reining
  • Rep. Prog. Phys. 70 357 2696 (2007)
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  • 27
  • Ab-initio electronic and optical properties of low dimensional systems: From single particle to many-body approaches
  • M. Palummo, M. Bruno, O. Pulci, E. Luppi, E. Degoli, S. Ossicini and R. Del Sole
  • Surface Science, 601 2696 (2007)
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  • 26
  • Two-band superconductivity in Pb from ab initio calculations
  • A. Floris, A. Sanna, S. Massidda, and E. K. U. Gross
  • Phys. Rev. B 75, 054508 (2007)
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  • 25
  • Superconducting properties of MgB2 from first principles
  • A. Floris, A. Sanna, M. Luders, G. Profeta, N.N. Lathiotakis, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, S. Massidda
  • Physica C 456, 45 (2007).
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  • 24
  • Optical properties of one-dimensioanal pgraphene polymers: the case of polyphenanthrene
  • D. Prezzi, D. Varsano, A. Ruini, A. Marini, and E. Molinari,
  • Phys. Stat. Sol. (b) 244, 4124 (2007).
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  • 23
  • Advanced Correlation Functionals: Application to Bulk Materials and Localized Systems
  • P. García-González, J.J. Fernández, A. Marini and A. Rubio,
  • J. Phys. Chem. A., 111 12458 (2007).
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  • 22
  • Absorption of BN nanotubes under the influence of a perpendicular electric field
  • C. Attacalite, L. Wirtz, A. Marini and A. Rubio,
  • Phys. Stat. Sol. (b) 244, 4288 (2007).
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  • 21
  • From Si nanowires to porous silicon: The role of excitonic effects
  • M. Bruno, M. Palummo, A. Marini, R. Del Sole, S. Ossicini
  • Phys. Rev. Lett. 98, 036807 (2007).
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  • 20
  • Anisotropic gap of superconducting CaC6: A first-principles density functional calculation.
  • A. Sanna,G. Profeta, A. Floris,A. Marini, E.K.U. Gross, S. Massidda,
  • Phys. Rev. B 75, 020511(R) (2007).
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  • 2006
  • 19
  • Ab initio calculation of many-body effects on the EEL spectrum of the C(100) surface
  • M. Palummo, O. Pulci, A. Marini, L. Reining, R. Del Sole,
  • Phys. Rev. B 74, 235431 (2006)
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  • 18
  • Effect of spatial nonlocality on the density functional band gap.
  • M. Gruning, A. Marini, and A. Rubio,
  • Phys. Rev. B 74, 161103(R) (2006).
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  • 17
  • First-Principles Description of Correlation Effects in Layered Materials.
  • A. Marini, P. Garcia-Gonzalez, and A. Rubio.
  • Phys. Rev. Lett., 96, 136404 (2006).
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  • 16
  • Excitons in boron nitride nanotubes: dimensionality effects.
  • L. Wirtz, A. Marini, and A. Rubio.
  • Phys. Rev. Lett. 96, 126104 (2006).
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  • 15
  • Density functionals from many-body perturbation theory: the bandgap for semiconductors and insulators.
  • M. Gruning, A. Marini, and A. Rubio,
  • J. Chem. Phys. 124, 154108 (2006)
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  • 14
  • An exact Coulomb cutoff technique for supercell calculations.
  • C. A. Rozzi, D. Varsano, A. Marini, E. K. U. Gross, and A. Rubio,
  • Phys. Rev. B 73, 205119 (2006).
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  • 2005
  • 13
  • Optical Absorption of Hexagonal Boron Nitride and BN Nanotubes
  • Ludger Wirtz, Andrea Marini, and Angel Rubio
  • AIP Conf. Proc. 786, 391 (2005)
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  • 12
  • Excitons in germanium nanowires: Quantum confinement, orientation, and anisotropy effects within a first-principles approach.
  • M. Bruno, M. Palummo, A. Marini, R. Del Sole, V. Olevano, A. N. Kholod, and S. Ossicini,
  • Phys. Rev. B 72, 153310 (2005).
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  • 11
  • Reflectance anisotropy spectra of the diamond (100)-(2x1) surface: Evidence of strongly bound surface state excitons.
  • M. Palummo, O. Pulci, R. Del Sole, A. Marini, M. Schwitters, S.R. Haines, K.H. Williams, D.S. Martin, P. Weightman. J.E. Butler,
  • Phys. Rev. Lett., 94, 087404 (2005).
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  • 2004
  • 10
  • Electron linewidths of wide-gap insulators: excitonic effects in LiF.
  • A. Marini, A. Rubio,
  • Phys. Rev. B 70, 081103(R) (2004)
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  • 9
  • Accurate band mapping via photoemission from thin films
  • A. Mugarza, A. Marini, T. Strasser, W. Schattke, A. Rubio, F.J. Garc\'ia de Abajo, J. Lobo, E.G. Michel, J. Kuntze, J.E. Ortega,
  • Physical Review B 69, 115422 (2004)
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  • 8
  • Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first principles approach
  • A.G. Marinopoulos, L. Wirtz, A. Marini, V. Olevano, A. Rubio, and L. Reining,
  • Appl. Phys. A, 78, 1157 (2004).
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  • 2003
  • 7
  • Ab-initio calculation of the exchange--correlation kernel in extended systems .
  • G. Adragna, R. Del Sole and A. Marini,
  • Phys. Rev. B 68, 165108 (2003).
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  • 6
  • Dynamical excitonic effects in metals and semiconductors
  • A. Marini, R. Del Sole,
  • Phys. Rev. Lett., 91, 176402 (2003).
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  • 5
  • Bound excitons in time-dependent density-functional theory: Optical and energy-loss spectra.
  • A. Marini, R. Del Sole, and A. Rubio,
  • Phys. Rev. Lett., 91, 256402 (2003).
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  • 2002
  • 4
  • Quasiparticle bandstructure effects on the d hole lifetimes of copper within the GW approximation
  • A. Marini, R. Del Sole, A. Rubio e G. Onida,
  • Phys. Rev. B 66, 161104(R) (2002).
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  • 3
  • First-principles calculation of the plasmon resonance and of the reflectance spectrum of Silver in the GW approximation
  • A. Marini, R. Del Sole e G. Onida,
  • Phys. Rev. B 66, 115101 (2002)
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  • 2
  • Quasiparticle electronic structure of Copper in the GW approximation
  • A. Marini, G. Onida e R. Del Sole,
  • Phys. Rev. Lett., 88, 016403 (2002).
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  • 2001
  • 1
  • Plane-wave DFT-LDA calculation of the electronic structure and absorption spectrum of copper.
  • A. Marini, G. Onida e R. Del Sole,
  • Phys. Rev. B, 64, 195125 (2001).
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