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2010-(part of)2015 Publications

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

Publications by year

2015 2014 2013 2012 2011
2010 2009 2008 2007 2006 2005 2004 2003 2002 2001

  • 2015

  • 219
  • Early oxidation stages of the strained Ge/Si(105) surface: A reflectance anisotropy spectroscopy study
  • Claudio Goletti, Laura Fazi, Conor Hogan, Luca Persichetti, Anna Sgarlata, Maurizia Palummo and Adalberto Balzarotti
  • Physica Status Solidi B 252, 87 (2015).
  • 218
  • Ab initio electronic structure, optical, and magneto-optical properties of MnGaAs digital ferromagnetic heterostructures
  • Patrizia Rosa, Davide Sangalli, Giovanni Onida, Alberto Debernardi
  • Phys. Rev. B 91, 075207 (2015)

  • 2014

  • 217
  • High-energy collective electronic excitations in layered transition-metal dichalcogenides
  • Pierluigi Cudazzo, Kari O. Ruotsalainen, Christoph J. Sahle, Ali Al-Zein, Helmuth Berger, Efrén Navarro-Moratalla, Simo Huotari, Matteo Gatti, and Angel Rubio
  • Phys. Rev. B 90, 125125
  • 216
  • The excitonic effects in single and double-walled boron nitride nanotubes
  • Shudong Wang, Yunhai Li, Joanne Yip and Jinlan Wang
  • J. Chem. Phys. 140, 244701 (2014)
  • 215
  • Probing Two-Dimensional vs Three-Dimensional Molecular Aggregation in Metal-Free Tetraphenylporphyrin Thin Films by Optical Anisotropy
  • G. Bussetti, M. Campione, L. Ferraro, L. Raimondo, B. Bonanni, C. Goletti, M. Palummo, C. Hogan⊥, L. Duò, M. Finazzi, and A. Sassella
  • J. Phys. Chem. C, 2014, 118 (29), pp 15649–15655
  • 214
  • Exciton-dominated optical response of ultra-narrow graphene nanoribbons
  • Richard Denk,Michael Hohage,Peter Zeppenfeld,Jinming Cai,Carlo A. Pignedoli,Hajo Söde,Roman Fasel,Xinliang Feng,Klaus Müllen,Shudong Wang,Deborah Prezzi,Andrea Ferretti,Alice Ruini,Elisa Molinar and Pascal Ruffieux
  • Nature Communications 5, Article number: 4253
  • 213
  • Tunable electronic and optical properties of monolayer silicane under tensile strain: A many-body study
  • Huabing Shu, Shudong Wang, Yunhai Li, Joanne Yip and Jinlan Wang
  • J. Chem. Phys. 141, 064707 (2014)
  • 212
  • Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory
  • Tamás Demján, Márton Vörös, Maurizia Palummo and Adam Gali
  • J. Chem. Phys. 141, 064308 (2014)
  • 211
  • Computed and Experimental Absorption Spectra of the Perovskite CH3NH3PbI3
  • Xi Zhu, Haibin Su, Rudolph A. Marcus, and Maria E. Michel-Beyerle
  • J. Phys. Chem. Lett., 2014, 5 (17), pp 3061–3065
  • 210
  • Bandgap calculations and trends of organometal halide perovskites
  • Ivano E. Castelli, Juan María García-Lastra, Kristian S. Thygesen and Karsten W. Jacobsen
  • APL Mat. 2, 081514 (2014)
  • 209
  • Ultra-fast carriers relaxation in bulk silicon following photo--excitation with a short and polarized laser pulse
  • Davide Sangalli, Andrea Marini
  • arXiv.org > physics > arXiv:1409.1706
  • 208
  • Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces
  • Lesheng Li, Paul G. Giokas, Yosuke Kanai, and Andrew M. Moran
  • The Journal of Chemical Physics; i140 234109 (2014)
  • 207
  • Structure and optical properties of (CdSxSe1−x)42 nanoclusters
  • Baochang Wang and Natalia V. Skorodumova
  • Phys. Chem. Chem. Phys. 16 13956 (2014)
  • 206
  • Electronic Structure of Interfaces between Thiophene and TiO2 Nanostructure's
  • M. Alves-Santos, L. M. Marion Jorge, M. J. Caldas and D. Varsano
  • J. Phys. Chem. C. 118, 13539 (2014)
  • 205
  • ptical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations
  • Giovanni Barcaro, Luca Sementa, Alessandro Fortunelli, and Mauro Stener
  • J. Phys. Chem. C, 2014, 118 (23), pp 12450–12458, 2014.
  • 204
  • Orientation-Dependent Electronic Structures and Optical Properties of the P3HT:PCBM Interface: A First-Principles GW-BSE Study
  • Long-Hua Li, Oleg Y. Kontsevoi, and Arthur J. Freeman
  • J. Phys. Chem. C 118, 10263 (2014)
  • 203
  • A Comparison Between Hybrid Functional, GW Approach and the Bethe Salpether Equation: Optical Properties of High Pressure Phases of TiO2
  • Wang, Baochang; Århammar, Cecilia; Jiang, Xue; Araujo, Carlos Moyses; Ahuja, Rajeev
  • Science of Advanced Materials, Volume 6, Number 6, June 2014, pp. 1170-1178(9)
  • 202
  • Hydrostatic pressure effects on structural and electronic properties of TATB from first principles calculations
  • I.A. Fedorov, Y.N. Zhuravlev
  • Chemical Physics 436, 1 (2014)
  • 201
  • Atomistic quantum plasmonics of Au nanowire arrays
  • L. Sementa, A. Marini, G. Barcaro, F. R. Negreiros and A. Fortunelli
  • ACS Photonics, 2014, 1 (4), pp 315–322.
  • 200
  • Quasi-particle energies and excitonic effects in bilayer of hexagonal boron nitride
  • Ashhadi M. , Ketabi S.A.
  • Solid State Communications 187, 1 (2014)
  • 199
  • Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo / Many Body Green's Function Theory level
  • D. Varsano, E. Coccia, O. Pulci, A. Mosca Conte and L. Guidoni
  • Computational & Theoretical Chemistry 1040, 338 (2014).
  • 198
  • Many-body effects in semiconducting single-wall silicon nanotubes
  • Wei, Wei; Jacob, Timo
  • Beilstein Journal Of Nanotechnology 5, 19 (2014)
  • 197
  • Theoretical Approaches to Structure and Spectroscopy of Earth Materials
  • S. Jahn, P.M. Kowalski
  • Reviews in Mineralogy and Geochemistry 78, 2014.
  • 196
  • Exciton Characteristics in Graphene Epoxide
  • Xi Zhu and Haibin Su
  • ACS Nano 8, 1284 (2014).
  • 195
  • Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin
  • E. Coccia, D. Varsano, L. Guidoni
  • J. Chem. Theor. Comput. 10, 501 (2014).
  • 194
  • Electron-electron and electron-phonon correlation effects on the finite temperature electronic and optical properties of {\emzb}-GN
  • H. Kawai, K. Yamashita, E. Cannuccia, A. Marini
  • Physical Review B 89 085202, (2014).
  • 193
  • Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo
  • S. Poncé, G. Antonius, P. Boulanger, E. Cannuccia, A. Marini, M. Côté, X. Gonze
  • Computational Materials Science 83, 341 (2014).

  • 2013

  • 192
  • Quasiparticle energies and optical excitations in the GaAs monolayer
  • Davoud Vahedi Fakhrabada, Nasser Shahtamasebia,Mojtaba Ashhadib
  • Physica E 59, 107 (2013).
  • 191
  • Quasiparticle GW calculations for solids, molecules, and two-dimensional materials
  • Falco Hüser, Thomas Olsen, and Kristian S. Thygesen
  • Phys. Rev. B 87, 235132 (2013).
  • 190
  • Second Harmonic Generation in h-BN and MoS2 monolayers: the role of electron-hole interaction
  • M. Grüning and C. Attaccalite
  • 189
  • Screening of electron-phonon coupling in graphene on Ir(111)
  • M. Endlich, A. Molina-Sánchez, L. Wirtz, J. Kröger
  • arXiv:1310.6552 [cond-mat.mtrl-sci]
  • 188
  • Enhanced many-body effects in 2- and 1-dimensional ZnO structures: A Green's function perturbation theory study
  • W Wei, Y Dai, B Huang, T Jacob
  • The Journal of Chemical Physics 139, 144703 (2013).
  • 187
  • Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors
  • C. Attaccalite, M. Grüning
  • Phys. Rev. B 88, 235113 (2013)
  • 186
  • Electronic excited states at ultrathin dielectric-metal interfaces
  • L. Sementa, A. Marini, G. Barcaro, F. R. Negreiros, and A. Fortunelli
  • Phys. Rev. B 88, 125413 (2013)
  • 185
  • Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides
  • Pierluigi Cudazzo, Matteo Gatti, and Angel Rubio
  • 184
  • Quantum confinement-induced tunable exciton states in graphene oxide
  • Dongwook Lee, Jiwon Seo, Xi Zhu, Jiyoul Lee, Hyeon-Jin Shin, Jacqueline M. Cole, Taeho Shin, Jaichan Lee, Hangil Lee and Haibin Su
  • Nature Scientific Reports 3, 2250 (2013)
  • 183
  • Strong many-body effects in silicene-based structures
  • Wei Wei and Timo Jacob
  • Phys. Rev. B 88, 045203 (2013)
  • 182
  • Tailoring Structural and Electronic Properties of RuO2 Nanotubes: Many-body Approach and Electronic Transport
  • Jose Ignacio Martinez, Enrique Abad, Federico Calle-Vallejo, Clifford M. Krowne and J. A. Alonso
  • Phys. Chem. Chem. Phys., 2013, DOI: 10.1039/C3CP52092G
  • 181
  • Quantum Monte Carlo Study of High Pressure Solid Molecular Hydrogen
  • S. Azadi, W. M. C. Foulkes, T. D. Kuehne
  • 180
  • Characterization of bulk structure and optical properties of zinc stannate (ZTO)
  • Grigory Kolesov
  • 179
  • Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2
  • Alejandro Molina-Sànchez, Davide Sangalli, Kerstin Hummer, Andrea Marini, Ludger Wirtz
  • Phys. Rev. B 88, 045412 (2013)
  • 178
  • Extraordinary Sunlight Absorption and 1 nm-Thick Photovoltaics using Two-Dimensional Monolayer Materials
  • Marco Bernardi , Maurizia Palummo , and Jeffrey C. Grossman
  • Nano Lett., DOI: 10.1021/nl401544y
  • 177
  • Ab-Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects
  • Margherita Marsili, Silvana Botti, Maurizia Palummo, Elena Degoli, Olivia Pulci, HansChristian Weissker, Miguel Alexandre Lopes Marques, Stefano Ossicini, and Rodolfo Del Sole
  • J. Phys. Chem. C, DOI: 10.1021/jp3121269
  • 176
  • Loss spectroscopy of molecular solids: combining experiment and theory
  • Friedrich Roth et al.
  • 175
  • Enhanced many-body effects in one-dimensional linear atomic chains
  • Ruixiang Fei, Guangfu Luo, Yangyang Wang, Zhengxiang Gao, Shigeru Nagase, Dapeng Yu, Jing Lu
  • Physica Status Solids, DOI: 10.1002/pssb.201248087
  • 174
  • Many-body effects in silicene, silicane, germanene and germanane
  • Wei Wei, Ying Dai, Baibiao Huanga and Timo Jacob
  • Phys. Chem. Chem. Phys., 2013, DOI: 10.1039/C3CP51078F
  • 173
  • Searching for low-workfunction phases in the Cs-Te system: the case of Cs2Te5
  • Anthony Ruth, Karoly Nemeth, Katherine C. Harkay, Joseph Z. Terdik, Jeff Terry, Linda Spentzouris
  • 172
  • Strong excitonic effects in the optical properties of graphitic carbon nitride g-C3N4 from first principles
  • Wei Wei and Timo Jacob
  • Phys. Rev. B 87, 085202 (2013)
  • 171
  • Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible
  • Attaccalite Claudio, Wirtz Ludger, Marini Andrea, Rubio Angel
  • Scientific Reports 3, Article number: 2698 (2013)
  • 170
  • GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite
  • Marina R. Filip, Christopher E. Patrick, Feliciano Giustino
  • 169
  • Ab-initio study of the effects induced by the electron--phonon scattering in carbon based nanostructures
  • E. Cannuccia, A. Marini
  • Submitted to PRB
  • 168
  • Correlation effects in the optical spectra of porphyrin oligomer chains: Exciton confinement and length dependence
  • Conor Hogan, Maurizia Palummo, Johannes Gierschner, and Angel Rubio
  • Journal of Chemical Physics 138, 024312 (2013)
  • 167
  • Confocal Raman spectroscopy of graphene on hexagonal boron nitride
  • F. Forster, A. Molina-Sanchez, S. Engels, A. Epping, K. Watanabe, T. Taniguchi, L. Wirtz, C. Stampfer
  • Phys. Rev. B 88, 085419 (2013)
  • 166
  • Titania nanostructures electronic and optical response by high-level ab-initio computational approaches
  • Letizia Chiodo, A. Iacomino, Maurizia Palummo, Angel Rubio
  • Handbook of Functional Nanomaterials, Nova Science Publishers, Ltd. , New York – USA (2013)
  • 165
  • An introduction to the calculation of valence EELS: Quantum mechanical methods for bulk solids
  • V.J. Keast
  • Micron, 44, Pages 93–100 (2013)

  • 2012

  • 164
  • Optical absorption modulation by selective codoping of SiGe core-shell nanowires
  • Michele Amato, Maurizia Palummo, Riccardo Rurali, and Stefano Ossicini
  • J. Appl. Phys. 112, 114323 (2012)
  • 163
  • Light emitting source and method for emitting light based on boron nitride nanotubes
  • Angel Rubio Secades, Claudio Attaccalite, Ludger Wirtz
  • Patent: Pub. No. WO/2012/113955
  • 162
  • Atomic and electronic structure of N-terminated GaN(0001)(1×1) surface
  • O. Romanyuk,P. Jiřiček and T. Paskova
  • Journal of Physics: Conference Series 398 (2012) 012013
  • 161
  • Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene
  • Pierluigi Cudazzo, Matteo Gatti, and Angel Rubio
  • Phys. Rev. B 86, 195307 (2012)
  • 160
  • Competition between the electronic and phonon-mediated scattering channels in the out-of-equilibrium carrier dynamics of semiconductors: an ab-initio approach
  • Andrea Marini
  • J. Phys.: Conf. Ser. 427 012003 (2013)
  • 159
  • Strong charge-transfer excitonic effects in C4H-type hydrogenated graphene
  • Wei Wei and Timo Jacob
  • Phys. Rev. B 86, 165444 (2012)
  • 158
  • Supramolecular Assembly of Diplatinum Species through Weak PtII⋅⋅⋅PtII Intermolecular Interactions: A Combined Experimental and Computational Study
  • Dr. Alejandro Pérez Paz et al.
  • Chemistry - A European Journal: 18(43):13787-99 (2012)
  • 157
  • Origin of the significantly enhanced optical transitions in layered boron nitride
  • Bing Huang, X. K. Cao, H. X. Jiang, J. Y. Lin, and Su-Huai Wei
  • Phys. Rev. B 86, 155202 (2012)
  • 156
  • Computational Photochemistry
  • Liu Yajun
  • Progress in Chemistry, 24(6), 950 (2012)
  • 155
  • Carrier multiplication between interacting nanocrystals for fostering silicon-based photovoltaics
  • Marco Govoni, Ivan Marri, Stefano Ossicini
  • Nature Photonics 6, 672–679 (2012)
  • 154
  • First-principles Structural and Electronic Characterization of Ordered SiO2 Nanowires
  • Josè I. Martínez, Federico Calle-Vallejo, Clifford M. Krowne, Julio A. Alonso
  • 153
  • Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum
  • Yannick J. Dappe, Josè I. Martínez
  • 152
  • Anomalous Workfunction Anisotropy in Ternary Acetylides
  • Joseph Z. Terdik, Károly Németh, Katherine C. Harkay, Jeffrey H. Terry, Jr., Linda Spentzouris, Daniel Velázquez, Richard Rosenberg, George Srajer
  • 151
  • Plasmon dispersion in layered transition-metal dichalcogenides
  • P. Cudazzo, M. Gatti, A. Rubio
  • Physical Review B 86, 075121 (2012)
  • 150
  • Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells
  • Marco Bernardi, Maurizia Palummo, Jeffrey C. Grossman
  • ACS Nano, in press.
  • 149
  • Stages of hot electron dynamics in multiexcitation processes at surfaces: General properties and benchmark examples
  • Branko Gumhalter
  • Progress in surface science (0079-6816) 87 (2012)
  • 148
  • Pseudo-potentials based first-principles approach to the magneto-optical Kerr effect: from metals to the inclusion of local fields and excitonic effects in magnetic semiconductors
  • Davide Sangalli, Andrea Marini, Alberto Debernardi
  • Phys. Rev. B 86, 125139 (2012)
  • 147
  • Many-Body Green's Function Theory for the Study of Excited States
  • Ma Yuchen, Liu Chengbu
  • Progress in Chemistry, 2012, 24(06):0-0
  • 146
  • 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, Claudio Attaccalite
  • Phys. Rev. B 86, 125203 (2012)
  • 145
  • The nature of radiative transitions in TiO2-basedvnanosheets
  • Maurizia Palummo, Giacomo Giorgi, Letizia Chiodo, Angel Rubio, and Koichi Yamashita
  • J. Phys. Chem. C 2012, 116, 18495-18503.
    DOI: 10.1021/jp304618n, JACS (2012)
  • 144
  • Strong excitonic effect in organic–inorganic hybrid crystals
  • Yubo Zhanga, Shan Zhenga, Xiudong Sunb, Wenqing Zhang
  • Solid State Communications, Volume 152, 1259 (2012)
  • 143
  • Quasiparticle Energies and Optical Excitations in Chevron-Type Graphene Nanoribbon
  • Shudong Wang and Jinlan Wang
  • J. Phys. Chem. C, 116 (18), pp 10193–10197 (2012)
  • 142
  • Optical characterization of gold chains and steps on the vicinal Si(557) surface: Theory and experiment (invited paper)
  • Conor Hogan, Niall McAlinden, John F. McGilp
  • Physica Status Solidi B 249, 1095-1104 (2012). Editor's Choice 2012.
  • 141
  • Optoelectronic Properties and Excitons in Hybridized Boron Nitride and Graphene Hexagonal Monolayers
  • Marco Bernardi, Maurizia Palummo, Jeffrey C. Grossman
  • Phys. Rev. Lett. 108 (2012), 226805
  • 140
  • Simulation of the oxidation pathway on Si(100) using high-resolution EELS
  • Conor Hogan, Lucia Caramella, Giovanni Onida
  • Phys. Status Solidi B 249, 1132 (2012)
  • 139
  • Artificially stacked of two-dimensional atomic layers: towards new van der Waals solids
  • Guanhui Gao, Wei Gao, E. Cannuccia, Jaime Taha-Tijerina, Luis Balicas, Akshay Mathkar, T.N. Narayanan, Zhen Liu, Bipin K. Gupta, Juan Peng, Yansheng Yin, Angel Rubio, Pulickel M. Ajayan
  • Nano Letters 12(7), 3518 (2012)
  • 138
  • Optical properties of the long-range Si(110)-(16x2) reconstruction from first principles
  • Elena Ferraro, Conor Hogan, Maurizia Palummo, Rodolfo Del Sole
  • Physica Status Solidi B 249 1148-1154 (2012)
  • 137
  • Zero point motion effect on the electronic properties of diamond, trans-polyacetylene and polyethylene
  • E. Cannuccia, A. Marini
  • EJP B, 85(9) pg 320 (2012)
  • 136
  • Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel
  • Shengli Jiang, Tiecheng Lu, Yao Long, and Jun Chen
  • J. Appl. Phys. 111, 043516 (2012)
  • 135
  • 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)
  • 134
  • Si3AlP: A new promising material for solar cell absorber
  • Ji-Hui Yang, Yingteng Zhai, Hengrui Liu, Hongjun Xiang, Xingao Gong, Su-Huai Wei
  • J. Am. Chem. Soc. 134, 12653 (2012)
  • 133
  • Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets
  • Hannes Hübener, Miguel A. Pérez-Osorio, Pablo Ordejón, Feliciano Giustino
  • Phys. Rev. B 85, 245125 (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
  • 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 (DOI: 10.1007/s11082-012-9559-y)
  • 130
  • The nature of radiative transitions in TiO2-based nanosheets
  • M. Palummo, G. Giorgi, L. Chiodo, A. Rubio,, K. Yamashita
  • Journal Of Physical Chemistry C 116, 18495 - 18503 (2012)
  • 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, 47 (21), 7472 (2012)
  • 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)
  • 127
  • First-principles study of the electronic and optical properties of ZnO and ZnS wurtzite nanoclusters
  • G. Malloci, L. Chiodo, A. Rubio, A. Mattoni
  • J. Phys. Chem. C, 2012, 116 (15), pp 8741–8746
  • 126
  • Absence of Metallization in Solid Molecular Hydrogen
  • Sam Azadi, Thomas D. Kühne
  • JETP Lett. 95, 509 (2012)
  • 125
  • Large Excitonic Effects in the Optical Properties of Monolayer MoS2
  • Thomas Olsen, Karsten W. Jacobsen, Kristian S. Thygesen
  • 124
  • Organic Molecules on Wide-Gap Insulators: Electronic Excitations
  • Wei Chen, Christoph Tegenkamp, Herbert Pfnür
  • 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)
  • 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)

  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 114
  • Scaling of Excitons in Graphene Nanoribbons with Armchair Shaped Edges
  • Xi Zhu and Haibin Su
  • J. Phys. Chem. A, 115 ,11998 (2011)
  • 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)
  • 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)
  • 106
  • Free Physics Software: Yambo Code, Step, Cern Program Library, Abinit, Cp2k
  • Books LLC
  • 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)
  • 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)
  • 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)
  • 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)
  • 101
  • Excitonic properties of hydrogen saturation-edged armchair graphene nanoribbons
  • Min Wang and Chang Ming Li
  • Nanoscale, 3, 2324-2328 (2011)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 93
  • Structural and Electronic Properties of Fluorographene
  • Duminda K. Samarakoon, Zhifan Chen, Chantel Nicolas, Xiao-Qian Wang
  • Small, 7, 965–969, (2011)
  • 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.
  • 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)
  • 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).
  • 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)
  • 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)
  • 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).

  • 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)
  • 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)
  • 84
  • Excitons of Edge and Surface Functionalized Graphene Nanoribbons
  • Xi Zhu and Haibin Su
  • J. Phys. Chem. C, 41, 17257(2010)
  • 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)
  • 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)
  • 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)
  • 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),
  • 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)
  • 78
  • Quasiparticle and Optical Properties of Rutile and Anatase TiO$_{2}$
  • Wei Kang, Mark S. Hybertsen
  • Phys. Rev. B 82,085203 (2010)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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
  • 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)
  • 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)
  • 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)
  • 68
  • Giant excitonic exchange splitting in Si nanowires
  • M. Palummo, F. Iori, R. Del Sole, S.Ossicini
  • Physical Review B 81, 121303(R) (2010)
  • 67
  • Designing materials for plasmonic systems
  • Martin G. Blaber, Matthew D. Arnold, Michael J. Ford
  • J. Phys.: Condens. Matter 22 095501, (2010).
  • 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
  • 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).
  • 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).
  • 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)
  • 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)
  • 60
  • Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si
  • M. Grüning, R. Shaltaf, G.-M. Rignanese
  • 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)
  • 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)
  • 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)
  • 55
  • Image Charge Effects on Molecular Electronic Levels at Different Surfaces
  • J. M. Garcia-Lastra, A. Rubio, K. S. Thygesen

  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 48
  • Fermi velocity renormalization in doped graphene
  • C. Attaccalite, and A. Rubio
  • Physica Status Solidi B, 246(11) 2523 (2009)
  • 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)
  • 46
  • Ab-initio band structure of doped graphene
  • C. Attaccalite, A. Grüeneis, T. Pichler, A. Rubio
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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).

  • 2008

  • 36
  • Ab Initio finite temperature excitons
  • A. Marini
  • Phys. Rev. Lett. 101, 106405 (2008).
  • 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).
  • 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)
  • 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).
  • 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)
  • 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)
  • 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).
  • 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)

  • 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)
  • Link to publisher
  • 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)
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).

  • 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)
  • 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).
  • 17
  • First-Principles Description of Correlation Effects in Layered Materials.
  • A. Marini, P. Garcia-Gonzalez, and A. Rubio.
  • Phys. Rev. Lett., 96, 136404 (2006).
  • 16
  • Excitons in boron nitride nanotubes: dimensionality effects.
  • L. Wirtz, A. Marini, and A. Rubio.
  • Phys. Rev. Lett. 96, 126104 (2006).
  • 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)
  • 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).

  • 2005

  • 13
  • Optical Absorption of Hexagonal Boron Nitride and BN Nanotubes
  • Ludger Wirtz, Andrea Marini, and Angel Rubio
  • AIP Conf. Proc. 786, 391 (2005)
  • 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).
  • 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).

  • 2004

  • 10
  • Electron linewidths of wide-gap insulators: excitonic effects in LiF.
  • A. Marini, A. Rubio,
  • Phys. Rev. B 70, 081103(R) (2004)
  • 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)
  • 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).

  • 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).
  • 6
  • Dynamical excitonic effects in metals and semiconductors
  • A. Marini, R. Del Sole,
  • Phys. Rev. Lett., 91, 176402 (2003).
  • 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).

  • 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).
  • 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)
  • 2
  • Quasiparticle electronic structure of Copper in the GW approximation
  • A. Marini, G. Onida e R. Del Sole,
  • Phys. Rev. Lett., 88, 016403 (2002).

  • 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).