Claudio Attaccalite

CNRS director at CINaM laboratory - Aix-Marseille University

91%

Libre accès

Documents

Affiliations actuelles

441569
215109
198056

Identifiants chercheurs

claudio-attaccalite
0000-0002-7660-261X
IdRef : 197623638
Arxiv : attaccalite_c_1

Publications

	News on the theoretical spectroscopy of boron nitride nanostructures L. Wirtz , Claudio Attaccalite , A. Marini , M. Bockstedte , A. Rubio Annual Meeting of the GDR-I GNT 'Graphene and Nanotubes', 2011, Dourdan, France Communication dans un congrès hal-00807592v1
	Tuning the Kohn anomaly in the phonon dispersion of graphene by interaction with the substrate and by doping L. Wirtz , A. Allard , Claudio Attaccalite , M. Lazzeri , Francesco Mauri American Physical Society March Meeting, APS March Meeting 2011, 2011, Dallas, TX, United States Communication dans un congrès hal-00579043v1
	Electron phonon coupling in graphene within the GW approximation L. Wirtz , M. Lazzeri , Claudio Attaccalite , Francesco Mauri Graphene Week, 2009, Obergurgl, Austria Communication dans un congrès hal-00575397v1
	Electron-phonon coupling in graphite within the GW-approximation L. Wirtz , M. Lazzeri , Claudio Attaccalite , Francesco Mauri 13th ETSF/Nanoquanta Workshop on Electronic Excitations, 2008, Pugnochiuso, Italy Communication dans un congrès hal-00362012v1
	Effect of impurities on the optical properties of BN nanotubes Claudio Attaccalite , L. Wirtz , A. Rubio 11th Nanoquanta Workshop on Electronic Excitations, 2006, Houffalize, Belgium Communication dans un congrès hal-00127866v1

	Exciton-Exciton transitions involving strongly bound Frenkel excitons: an ab initio approach D. Sangalli , M. d'Alessandro , Claudio Attaccalite Physical Review B, 2023, 107 (20), pp.205203. ⟨10.1103/PhysRevB.107.205203⟩ Article dans une revue hal-03866927v1
	First-principles study of luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate Pierre Lechifflart , Fulvio Paleari , Davide Sangalli , Claudio Attaccalite Physical Review Materials, 2023, 7, pp.024006. ⟨10.1103/PhysRevMaterials.7.024006⟩ Article dans une revue hal-03909192v1
	Electrical monitoring of organic crystal phase transition using MoS2 field effect transistor Ilan Boulet , Simon Pascal , F. Bedu , Igor Ozerov , Alain Ranguis Nanoscale Advances, 2023, 5, pp.1681-1690. ⟨10.1039/d2na00817c⟩ Article dans une revue hal-04001075v1
	Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride Martino Silvetti , Claudio Attaccalite , Elena Cannuccia Physical Review Materials, 2023, 7 (5), pp.055201. ⟨10.1103/PhysRevMaterials.7.055201⟩ Article dans une revue hal-03852418v1
	Interlayer and intralayer excitons in AlN/WS$_2$ heterostructure Claudio Attaccalite , M. S. Prete , M. Palummo , O. Pulci Materials, 2022, 15 (23), pp.8318. ⟨10.3390/ma15238318⟩ Article dans une revue hal-03717052v1
	Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics Kevin Eberheim , Christof Dues , Claudio Attaccalite , Marius Müller , Sebastian Schwan Journal of Physical Chemistry C, 2022, 126 (7), pp.3713-3726. ⟨10.1021/acs.jpcc.1c10107⟩ Article dans une revue hal-03602355v1
	Nonlinear optical response of ferroelectric oxides: First-principles calculations within the time and frequency domains Christof Dues , Marius J Müller , Sangam Chatterjee , Claudio Attaccalite , Simone Sanna Physical Review Materials, 2022, 6, pp.065202. ⟨10.1103/PhysRevMaterials.6.065202⟩ Article dans une revue hal-03704579v1
	Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties Simone Brozzesi , Claudio Attaccalite , Francesco Buonocore , Giacomo Giorgi , Maurizia Palummo Nanomaterials, 2022, 12 (12), pp.2118. ⟨10.3390/nano12122118⟩ Article dans une revue hal-03700706v1
	Excitons under strain: light absorption and emission in strained hexagonal boron nitride Pierre Lechifflart , Fulvio Paleari , Claudio Attaccalite SciPost Physics, 2022, 12, pp.145. ⟨10.21468/SciPostPhys.12.5.145⟩ Article dans une revue hal-03502146v1
	Ellipsometry Study of Hexagonal Boron Nitride using Synchrotron Radiation: Transparency Window in the Far‐UVC Luis Artús , Martin Feneberg , Claudio Attaccalite , James H Edgar , Jiahan Li Advanced Photonics Research, 2021, pp.2000101. ⟨10.1002/adpr.202000101⟩ Article dans une revue hal-03142453v1
	Tuning the Direct and Indirect Excitonic Transitions of h -BN by Hydrostatic Pressure Alfredo Segura , Ramon Cuscó , Claudio Attaccalite , Takashi Taniguchi , Kenji Watanabe Journal of Physical Chemistry C, 2021, 125 (23), pp.12880-12885. ⟨10.1021/acs.jpcc.1c02082⟩ Article dans une revue hal-03421555v1
	Strongly Bound Excitons in Metal–Organic Framework MOF-5: A Many-Body Perturbation Theory Study Aseem Rajan Kshirsagar , Xavier Blase , Claudio Attaccalite , Roberta Poloni Journal of Physical Chemistry Letters, 2021, 12 (16), pp.4045-4051. ⟨10.1021/acs.jpclett.1c00543⟩ Article dans une revue hal-03359643v1
	Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models Aseem Rajan Kshirsagar , Claudio Attaccalite , Xavier Blase , Jing Li , Roberta Poloni Journal of Physical Chemistry C, 2021, 125 (13), pp.7401-7412. ⟨10.1021/acs.jpcc.1c00367⟩ Article dans une revue hal-03359630v1
	On-surface chemistry using local high electric fields Thomas Leoni , Tony Lelaidier , Anthony Thomas , Alain Ranguis , Olivier Siri Nanoscale Advances, 2021, 3 (19), pp.5565 - 5569. ⟨10.1039/d1na00383f⟩ Article dans une revue hal-03421568v1
	TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo Kousuke Nakano , Claudio Attaccalite , Matteo Barborini , Luca Capriotti , Michele Casula Journal of Chemical Physics, 2020, ⟨10.1063/5.0005037⟩ Article dans une revue hal-02733177v1
	How strong is the second harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations Claudio Attaccalite , Maurizia Palummo , Elena Cannuccia , Myrta Grüning Physical Review Materials, 2019, 3 (7), ⟨10.1103/PhysRevMaterials.3.074003⟩ Article dans une revue hal-02186055v1
	Many-body perturbation theory calculations using the yambo code D. Sangalli , A. Ferretti , H. Miranda , Claudio Attaccalite , I. Marri Journal of Physics: Condensed Matter, 2019, 31, pp.325902. ⟨10.1088/1361-648X/ab15d0⟩ Article dans une revue hal-02032065v1
	Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride Elena Cannuccia , B. Monserrat , Claudio Attaccalite Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2019, 99, pp.081109. ⟨10.1103/PhysRevB.99.081109⟩ Article dans une revue hal-01852174v1
	Influence of halogen substitution on aggregation-induced near infrared emission of borondifluoride complexes of 2′-hydroxychalcones Anthony D’aléo , Andrés Saúl , Claudio Attaccalite , Frédéric Fages Materials Chemistry Frontiers, 2019, 3 (1), pp.86-92. ⟨10.1039/c8qm00478a⟩ Article dans une revue hal-01970667v1
	Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride Claudio Attaccalite , Myrta Grüning , Hakim Amara , Sylvain Latil , François Ducastelle Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (16), pp.165126. ⟨10.1103/PhysRevB.98.165126⟩ Article dans une revue hal-01755879v1
	Direct and indirect excitons in boron nitride polymorphs: a story of atomic configuration and electronic correlation Lorenzo Sponza , Hakim Amara , Claudio Attaccalite , Sylvain Latil , Thomas Galvani Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (12), pp.125206. ⟨10.1103/PhysRevB.98.125206⟩ Article dans une revue hal-01820825v1
	Exciton interference in hexagonal boron nitride Lorenzo Sponza , Hakim Amara , François Ducastelle , Annick Loiseau , Claudio Attaccalite Physical Review B, 2018, 97 (7), pp.075121. ⟨10.1103/PhysRevB.97.075121⟩ Article dans une revue hal-01635495v1
	Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124 , 086101 (2018)] Dilyara Timerkaeva , Claudio Attaccalite , Gilles Brenet , Damien Caliste , Pascal Pochet Journal of Applied Physics, 2018, 124 (8), pp.086102. ⟨10.1063/1.5044186⟩ Article dans une revue hal-01972471v1
	Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles Dilyara Timerkaeva , Claudio Attaccalite , Gilles Brenet , Damien Caliste , Pascal Pochet Journal of Applied Physics, 2018, 123 (16), pp.161421. ⟨10.1063/1.5010269⟩ Article dans une revue hal-02141908v1
	Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride Frederic Fossard , Lorenzo Sponza , Léonard Schué , Claudio Attaccalite , François Ducastelle Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (11), pp.115304. ⟨10.1103/PhysRevB.96.115304⟩ Article dans une revue hal-01633518v1
	Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons Claudio Attaccalite , E. Cannuccia , M. Grüning Physical Review B, 2017, 95 (12), pp.125403. ⟨10.1103/PhysRevB.95.125403⟩ Article dans une revue hal-01635486v1
	Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te) Myrta Grüning , Claudio Attaccalite Physical Chemistry Chemical Physics, 2016, 18 (31), pp.21179-21189. ⟨10.1039/c6cp00459h⟩ Article dans une revue hal-01320555v1
	Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory M Grüning , D Sangalli , Claudio Attaccalite Physical Review B, 2016, 94 (3), pp.035149. ⟨10.1103/PhysRevB.94.035149⟩ Article dans une revue hal-01320532v1
	Exploring approximations to the GW self-energy ionic gradients Carina Faber , Paul Boulanger , Claudio Attaccalite , E. Cannuccia , I. Duchemin Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (15), pp.155109. ⟨10.1103/PhysRevB.91.155109⟩ Article dans une revue hal-01110455v1
	Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation Sabine Körbel , David Kammerlander , Rafael Sarmiento-Pérez , Claudio Attaccalite , Miguel Alexandre Lopes Marques Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (7), pp.075134. ⟨10.1103/PhysRevB.91.075134⟩ Article dans une revue hal-01230827v1
	Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body cal-culations Claudio Attaccalite , Alassane Nguer , Elena Cannuccia , Myrta Grüning Physical Chemistry Chemical Physics, 2015, 17 (14), pp.9533-9540. ⟨10.1039/c5cp00601e⟩ Article dans une revue hal-01230829v1
	Second Harmonic Generation in h-BN and MoS$_2$ monolayers: the role of electron-hole interaction M. Grüning , Claudio Attaccalite Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (8), pp.081102. ⟨10.1103/PhysRevB.89.081102⟩ Article dans une revue hal-00935297v1
	Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms Carina Faber , Paul Boulanger , Claudio Attaccalite , Ivan Duchemin , Xavier Blase Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences (1934–1990), 2014, 372 (2011), pp.20130271. ⟨10.1098/rsta.2013.0271⟩ Article dans une revue hal-00978401v1
	Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide Carina Faber , Paul Boulanger , Ivan Duchemin , Claudio Attaccalite , Xavier Blase Journal of Chemical Physics, 2013, 139, pp.194308. ⟨10.1063/1.4830236⟩ Article dans une revue hal-00913648v1
	Nonlinear optics from ab-initio by means of the dynamical Berry-phase Claudio Attaccalite , M. Grüning Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (23), pp.235113. ⟨10.1103/PhysRevB.88.235113⟩ Article dans une revue hal-00862625v1
	Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible Claudio Attaccalite , Ludger Wirtz , Andrea Marini , Angel Rubio Scientific Reports, 2013, 3, pp.2698. ⟨10.1038/srep02698⟩ Article dans une revue hal-00865828v1
	Comment on "Electronic Structure of Superconducting KC8 and Nonsuperconducting LiC6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State" Matteo Calandra , Claudio Attaccalite , Giovanni Profeta , Francesco Mauri Physical Review Letters, 2012, 108, pp.149701. ⟨10.1103/PhysRevLett.108.149701⟩ Article dans une revue hal-00692115v1
	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 Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86 (12), pp.125203. ⟨10.1103/PhysRevB.86.125203⟩ Article dans une revue hal-00730372v1
	Trends in condensed matter physics: is research going faster and faster? Claudio Attaccalite , S. Barland Journal of Unsolved Questions, 2012, 3 (1), pp.1-5 Article dans une revue hal-00752251v1
	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 Journal of Materials Science, 2012, 47 (21), pp.7472. ⟨10.1007/s10853-012-6401-7⟩ Article dans une revue hal-00730389v1
	A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation Claudio Attaccalite , M. Grüning , A. Marini Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (24), pp.245110. ⟨10.1103/PhysRevB.84.245110⟩ Article dans une revue hal-00626220v1
	Coupling of excitons and defect states in boron-nitride nanostructures Claudio Attaccalite , M. Bockstedte , A. Marini , A. Rubio , L. Wirtz Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.144115. ⟨10.1103/PhysRevB.83.144115⟩ Article dans une revue hal-00626222v1
	First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications Xavier Blase , Claudio Attaccalite , Valerio Olevano Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.115103. ⟨10.1103/PhysRevB.83.115103⟩ Article dans une revue hal-00626224v1
	Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach Xavier Blase , Claudio Attaccalite Applied Physics Letters, 2011, 99 (17), pp.171909. ⟨10.1063/1.3655352⟩ Article dans une revue hal-00626221v1
	First-principles GW calculations for DNA and RNA nucleobases Carina Faber , Claudio Attaccalite , Valerio Olevano , Erich Runge , Xavier Blase Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83 (11), pp.115123. ⟨10.1103/PhysRevB.83.115123⟩ Article dans une revue hal-00626223v1
	Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study Lorenzo Stella , Claudio Attaccalite , Sandro Sorella , Angel Rubio Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (24), pp.245117. ⟨10.1103/PhysRevB.84.245117⟩ Article dans une revue hal-00692142v1
	Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane Claudio Attaccalite , Angel Rubio , Cudazzo Pierluigi , Ilya V. Tokatly Physical Review Letters, 2010, 104, pp.226804. ⟨10.1103/PhysRevLett.104.226804⟩ Article dans une revue hal-00695023v1
	Doped graphene as tunable electron-phonon coupling material Claudio Attaccalite , Ludger Wirtz , Michele Lazzeri , Francesco Mauri , Angel Rubio Nano Letters, 2010, 10 (4), pp.1172. ⟨10.1021/nl9034626⟩ Article dans une revue hal-00695022v1
	Doped graphene as tunable electron-phonon coupling material Claudio Attaccalite , L. Wirtz , M. Lazzeri , Francesco Mauri , A. Rubio Nano Letters, 2010, 10 (4), pp.1172-1176. ⟨10.1021/nl9034626⟩ Article dans une revue hal-00549056v1
	Phonon surface mapping of graphite : disentangling quasi-degenerate phonon dispersions A. Gruneis , J. Serrano , A. Bosak , M. Lazzeri , S.L. Molodtsov Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 80, pp.085423-1-5. ⟨10.1103/PhysRevB.80.085423⟩ Article dans une revue hal-00473343v1
	Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene A. Grüneis , Claudio Attaccalite , L. Wirtz , H. Shiozawa , R. Saito Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78, pp.205425-1-16. ⟨10.1103/PhysRevB.78.205425⟩ Article dans une revue hal-00357778v1
	Comment on ''Huge excitonic effects in layered hexagonal boron nitride'' L. Wirtz , A. Marini , M. Gruning , Claudio Attaccalite , G. Kresse Physical Review Letters, 2008, 100, pp.189701-1. ⟨10.1103/PhysRevLett.100.189701⟩ Article dans une revue hal-00357330v1
	Electron-electron correlation in graphite : a combined angle-resolved photoemission and first-principles study A. Gruneis , Claudio Attaccalite , T. Pichler , V. Zabolotnyy , H. Shiozawa Physical Review Letters, 2008, 100, pp.037601-1-4. ⟨10.1103/PhysRevLett.100.037601⟩ Article dans une revue hal-00357328v1
	Impact of the electron-electron correlation on phonon dispersions : failure of LDA and GGA functionals in graphene and graphite M. Lazzeri , Claudio Attaccalite , L. Wirtz , Francesco Mauri Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78, pp.081406(R)-1-4. ⟨10.1103/PhysRevB.78.081406⟩ Article dans une revue hal-00357354v1
	Absorption of BN nanotubes under the influence of a perpendicular electric field Claudio Attaccalite , L. Wirtz , A. Marini , A. Rubio physica status solidi (b), 2007, 244, pp.4288-4292. ⟨10.1002/pssb.200776199⟩ Article dans une revue hal-00283187v1
	Low energy quasiparticle dispersion of graphite by angle-resolved photoemission spectroscopy A. Gruneis , T. Pichler , H. Shiozawa , Claudio Attaccalite , L. Wirtz physica status solidi (b), 2007, 244, pp.4129-4133. ⟨10.1002/pssb.200776107⟩ Article dans une revue hal-00283186v1

	Ultra-Broadband Visible and Infrared Light Generation Driven by Far Infrared Light in the Broad Region from 8{\mu}m to 240{\mu}m Claudio Attaccalite , Nils W. Rosemann , Robin C. Döring , Eike Dornsiepen , Jürgen Belz 2022 Pré-publication, Document de travail hal-03658587v1
	TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo Claudio Attaccalite , Michele Casula 2020 Pré-publication, Document de travail hal-02484178v1
	What is the nature of the C-C complex in silicon? Insights from electronic structure calculations Dilyara Timerkaeva , Claudio Attaccalite , Gilles Brenet , Damien Caliste , Pascal Pochet 2017 Pré-publication, Document de travail hal-01635491v1
	Angular resolved electron energy loss spectroscopy in hexagonal boron nitride Frédéric Fossard , Lorenzo Sponza , Léonard Schué , Claudio Attaccalite , François Ducastelle 2017 Pré-publication, Document de travail hal-01439271v2

	Non-linear response of solids and nanostructures Claudio Attaccalite , Davide Sangalli , Myrta Grüning 2022, pp.N°154 Autre publication scientifique hal-03622296v1

	Non-linear response in extended systems: a real-time approach Claudio Attaccalite Materials Science [cond-mat.mtrl-sci]. Aix-Marseille Universite, 2017 HDR tel-01635503v1

Claudio Attaccalite

Publications

News on the theoretical spectroscopy of boron nitride nanostructures

Tuning the Kohn anomaly in the phonon dispersion of graphene by interaction with the substrate and by doping

Electron phonon coupling in graphene within the GW approximation

Electron-phonon coupling in graphite within the GW-approximation

Effect of impurities on the optical properties of BN nanotubes

Exciton-Exciton transitions involving strongly bound Frenkel excitons: an ab initio approach

First-principles study of luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate

Electrical monitoring of organic crystal phase transition using MoS2 field effect transistor

Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride

Interlayer and intralayer excitons in AlN/WS$_2$ heterostructure

Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics

Nonlinear optical response of ferroelectric oxides: First-principles calculations within the time and frequency domains

Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties

Excitons under strain: light absorption and emission in strained hexagonal boron nitride

Ellipsometry Study of Hexagonal Boron Nitride using Synchrotron Radiation: Transparency Window in the Far‐UVC

Tuning the Direct and Indirect Excitonic Transitions of h -BN by Hydrostatic Pressure

Strongly Bound Excitons in Metal–Organic Framework MOF-5: A Many-Body Perturbation Theory Study

Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models

On-surface chemistry using local high electric fields

TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

How strong is the second harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations

Many-body perturbation theory calculations using the yambo code

Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride

Influence of halogen substitution on aggregation-induced near infrared emission of borondifluoride complexes of 2′-hydroxychalcones

Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride

Direct and indirect excitons in boron nitride polymorphs: a story of atomic configuration and electronic correlation

Exciton interference in hexagonal boron nitride

Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124 , 086101 (2018)]

Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles

Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride

Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons

Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te)

Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory

Exploring approximations to the GW self-energy ionic gradients

Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation

Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body cal-culations

Second Harmonic Generation in h-BN and MoS$_2$ monolayers: the role of electron-hole interaction

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

Nonlinear optics from ab-initio by means of the dynamical Berry-phase

Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible

Comment on "Electronic Structure of Superconducting KC8 and Nonsuperconducting LiC6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State"

Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation

Trends in condensed matter physics: is research going faster and faster?

Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation

Coupling of excitons and defect states in boron-nitride nanostructures

First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications

Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach

First-principles GW calculations for DNA and RNA nucleobases

Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study

Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane

Doped graphene as tunable electron-phonon coupling material

Doped graphene as tunable electron-phonon coupling material

Phonon surface mapping of graphite : disentangling quasi-degenerate phonon dispersions

Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene

Comment on ''Huge excitonic effects in layered hexagonal boron nitride''

Electron-electron correlation in graphite : a combined angle-resolved photoemission and first-principles study

Impact of the electron-electron correlation on phonon dispersions : failure of LDA and GGA functionals in graphene and graphite

Absorption of BN nanotubes under the influence of a perpendicular electric field

Low energy quasiparticle dispersion of graphite by angle-resolved photoemission spectroscopy

Ultra-Broadband Visible and Infrared Light Generation Driven by Far Infrared Light in the Broad Region from 8{\mu}m to 240{\mu}m

TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo

What is the nature of the C-C complex in silicon? Insights from electronic structure calculations

Angular resolved electron energy loss spectroscopy in hexagonal boron nitride

Non-linear response of solids and nanostructures

Non-linear response in extended systems: a real-time approach