#Papers: 49
#Citation: 10977
H-Index: 20
G-Index: 42
Sociability: 4
Diversity: 3
Activity: 2
European Theoretical Spectroscopy Facility
49Publications
10977 Citations
Org Statistics
Publications & Citations Over Time
AuthorsCo-Orgs
Published Papers
Lucia Reining
École Polytechnique8
Friedhelm Bechstedt
Instituts fur Festkorpertheorie und -Optik, Friedrich-Schiller-Universitat Jena7
Pina Romaniello
Theoretical Chemistry;Materials Science Centre;Theoretical Chemistry|Materials Science Centre5
Valerio Olevano
French National Centre for Scientific Research5
Gian-Marco Rignanese
Ecole Polytechnique De Louvain, Université Catholique De Louvain;Institute of Condensed Matter and Nanosciences, Université Catholique De Louvain;Northwestern Polytechnical University5
Davide Sangalli
Division of Ultrafast Processes in Materials, CNR-ISM4
Olivia Pulci
INFM and Dipartimento di Fisica, Università di Roma “Tor Vergata”,4
Silvana Botti
Faculty of Physics and Astronomy, Ruhr University Bochum;Research Center Future Energy Materials and Systems, Universitätsallianz Ruhr4
Margherita Marsili
INFM, University of Rome Tor Vergata Via della Ricerca Scientifica4
Rodolfo Del Sole
Università degli Studi di Roma "Tor Vergata"4
Angel Rubio（安吉·卢比奥）
Theory Department, Max Planck Institute for the Structure and Dynamics of Matter;Center for Free-Electron Laser Science, Max Planck Institute for the Structure and Dynamics of Matter4
Hans-Christian Weissker
European Theoretical Spectroscopy Facility, Aix-Marseille University3
Letizia Chiodo
National Nanotechnology Laboratory of CNR-INFM, Via Arnesano, I-73100 Lecce, Italy3
J. Berger
Physics Unit;Ort Braude College;Department of Physics;Department of Physics, Ort Braude College3
Miguel Alexandre Lopes Marques
Fakultät für Maschinenbau, Ruhr-Universität Bochum3
Tonatiuh Rangel
European Theoretical Spectroscopy Facility, ETSF3
Matteo Gatti
Center for Thoracic Surgery, University of Insubria3
Samuel Poncé
Theory & Simulat Mat THEOS, Ecole Polytech Fedrale Lausanne3
Francesco Sottile
Ecole Polytechnique3
Walter Tarantino
College London;Department of Physics;Department of Physics, King ' s College London2
Matthieu Verstraete
University of Liege;Institute of Theoretical Physics, University of Utrecht2
Michiel J. Van Setten
Institut für Nanotechnologie;Forschungszentrum Karlsruhe;Institut für Nanotechnologie, Forschungszentrum Karlsruhe2
Maurizia Palummo
INFM, University of Rome Tor Vergata Via della Ricerca Scientifica2
Valérie Véniard
Laboratoire des Solides Irradiés, Université Paris-Saclay2
Federico Iori
LSI, Ecole Polytechnique2
Simo Huotari
Dept Phys, Univ Helsinki2
Andrea Marini
Department of Physical and Chemical Sciences, University of L'Aquila2
Eleonora Luppi
and Dipartimento di Fisica, Università di Modena e Reggio Emilia2
Xochitl Lopez-Lozano
Instituto de Física, Universidad Nacional Autónoma de México2
Roberto Righini
European Laboratory for Nonlinear Spectroscopy (LENS), Largo E. Fermi 2, 50125 Florence, Italy2
G. Cappellini
Department of Neuromotor Physiology, Santa Lucia Foundation2
Fabien Bruneval
Service de Recherches de Metallurgie Physique, Commissariat a l'Energie Atomique et aux Energies Alternatives2
David Waroquiers
Universite Catholique de Louvain - UCLouvain2
Claudia Draxl
Physics Department, Humboldt-Universität Berlin2
Di Sabatino S
Laboratoire de Chimie et Physique Quantiques, Université de Toulouse2
Robert L. Whetten
Center for Materials Interfaces in Research & Applications, Northern Arizona University2
Massimo Gurioli
Department of Physics, University of Florence;European Laboratory for Non-Linear Spectroscopy1
Arianna Filoramo
CEA Saclay Gif-sur-Yvette, Université Paris-Saclay1
Nataliya Skryabina
Perm State University1
Benjamin Hoffling
Friedrich Schiller University Jena1
Fabio Trani
INFM, Università di Napoli “Federico II”,1
Harald Redlin
Hamburger Synchrotronstrahlungslabor HASYLAB, Deutsches Elektronen-Synchrotron DESY1
Lars Matthes
Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität Jena1
Thierry Leininger
Laboratoire de Chimie et Physique Quantiques, Université de Toulouse1
Oleg Rubel
Department of Physics;Material Sciences Center;Material Sciences Center, Department of Physics1
Nicolas Suaud
Laboratoire de Physique;Universite Paul Sabatier;Laboratoire de Physique, Universite Paul Sabatier1
Pietro Davide Delugas
Dipartimento di Fisica;Universita di Cagliari;Dipartimento di Fisica, Universita di Cagliari1
R. Hambach
Electron Microscopy Grp Mat Sci, Ulm Univ1
Mary H. Upton
Argonne National Laboratory1
Uwe Gerstmann
Lehrstuhl für Theoretische Materialphysik, Universität Paderborn1
Karsten Hannewald
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität Jena1
Christophe Audouze
CEA-DAM/DIF/DSSI/SNEC1
Xavier Andrade
European Theoretical Spectroscopy1
Lorenzo Sorace
MPI-FKF and CNRS, Grenoble High Magnetic Field Laboratory1
Myrta Gruning
Sch Math & Phys, Queens Univ Belfast1
Pierluigi Cudazzo
Dept Phys, Univ Trento1
Marilena Ricci
European Laboratory for Non-linear Spectroscopy and INFM1
F. Jollet
Dept Phys Theor & Appl, CEA1
Oliviero Andreussi
Scuola Normale Superiore1
Maximilian Amsler
Department of Physics;Universitat Basel;Department of Physics, Universitat Basel1
Stefan Goedecker
Department of Physics und Astronomy, Universitat Basel1
Stefano Baroni
Scuola Internazionale Superiore di Studi Avanzati1
D. R. Hamann
Dept Phys & Astron, Rutgers State Univ1
Pasquale Pavone
Facoltà di Economia - SAPIENZA;Università di Roma I;Facoltà di Economia - SAPIENZA, Università di Roma I - 001931
Azzedine Bendounan
LOrme Merisiers, Synchrotron SOLEIL1
Elena Molteni
Accademia di architettura1
Marina Shelyapina
Saint Petersburg State University1
Jonathan Laflamme Janssen
Inst Condensed Matter & Nanosci, Catholic Univ Louvain1
Eric Bousquet
Institut de physique;Université de Liège;Institut de physique, Université de Liège1
Pierre-Francois Loos
School of Chemistry, Research;Australian National University;Australian Capital Territory;School of Chemistry, Australian National University1
Stefano Evangelisti
Dipartimento di Chimica Fisica e Inorganica, Università di Bologna1
Paola Gori
Department of Plant Biology, University of Florence1
Bernard Amadon
Département de Physique Théorique et Appliquée, CEA1
Donat Adams
Laboratory of Crystallography;Department of Materials;Laboratory of Crystallography|Department of Materials1
Jean François Letard
OliKrom1
Claudio Attaccalite
Institute for Electronics;Nanotechnology Dept;Nanotechnology Dept, Institute for Electronics1
Damien Caliste
Departement de Recherche Fondamentale sur la Matiere Condensee1
Savino Longo
Dipartimento di Chimica, dell’Universita’ di Bari1
Cecilia Coletti
Dipartimento di Chimica, Università di Perugia1
Yuri Shvyd'Ko
Advanced Photon Source, Argonne National Laboratory1
Bingbing Tian
South China University of Technology, South China Univ. of Technol.1
Bernardo Mendoza
Centro de Investigaciones en Optica1
Dario Rocca
G.N.S.M. del C.N.R.1
Zeila Zanolli
Department of Phisics;Lund University;Department of Phisics, Lund University1
Josef W. Zwanziger
Department of Chemistry, Faculty of Science, Dalhousie University1
Abhay Shukla
Physics faculty, Institut De Minéralogie, De Physique Des Matériaux Et De Cosmochimie, UPMC, Sorbonne Université1
Yann Pouillon
IPCMS-GEMM1
Marco Buongiorno Nardelli
Department of Physics, College of Science, University of North Texas1
Paolo E. Trevisanutto
Institut NEEL, CNRS1
Hannes Hübener
Ctr Free Electron Laser Sci, Max Planck Inst Struct & Dynam Matter1
Andrea Dal Corso
Scuola Internazionale Superiore di Studi Avanzati1
Jean-Michel Beuken
Universite Catholique de Louvain - UCLouvain1
Boris Dorado
DAM, CEA1
Xifan Wu
Institute for Computational Molecular Science, Temple University1
Emiliano Cadelano
Dipartimento di Fisica;Universita di Cagliari;Cittadella Universitaria;Universita di Cagliari, Cittadella Universitaria1
Aldo Romero
Department of Physics and Astronomy, Eberly College of Arts & Sciences, West Virginia University1
Weibin Fan
Institute of Coal Chemistry, Chinese Academy of Sciences1
André Schleife
Institut für Festkörpertheorie1
Alexander Govorov
Clippinger Research Labs, Department of Physics and Astronomy, College of Arts and Sciences, Ohio University1
Matteo Cococcioni
Dipartimento di Fisica, Università degli Studi di Pavia1
Journal Level
The relative energy stability between Si(111)2×1 positive and negative buckling is still a puzzle. Both isomers possess comparable energies in Density Functional Theory (DFT) calculations and, hence, should occur with the same probability. This is in contrast to experimental find...
7
18
Quasiparticle calculations are performed to investigate the electronic band structures of various polymorphs of Hf and Zr oxides. The corrections with respect to density-functional-theory results are found to depend only weakly on the crystal structure. Based on these bulk calcul...
38
4
Despite the simplicity of the system, the description of the excited-state properties of the cleavage surface of diamond requires the use of nonstandard treatment of many-body effects. Using a simple tight-binding model, we show that the typical assumption concerning the identity...
14
2
Femtosecond light-induced phase transitions between different macroscopic orders provide the possibility to tune the functional properties of condensed matter on ultrafast timescales. In first-order phase transitions, transient non-equilibrium phases and inherent phase coexistenc...
26
63
We present a detailed investigation of the dynamic structure factor S(Q, omega) as well as of the dielectric function epsilon(M)(Q, omega) of the prototypical semiconductor silicon for finite momentum transfer, combining inelastic x-ray scattering measurements and ab initio calcu...
51
19
Cu2ZnSnS4 (CZTS) is a promising thin-film photovoltaic absorber material consisting of earth-abundant and nontoxic elements, though the efficiency achieved in actual devices is well below the theoretical one. Cation disorder has been proposed as a possible explanation; it is, how...
21
18
We report on the background, current status, and current lines of development of the octopus project. This program materializes the main equations of density‐functional theory in the ground state, and of time‐dependent density‐functional theory for dynamical effects. The focus is...
751
0
Because of rapid progress in the synthesis methods, TiO2-based nanomaterials are nowadays the object of strong research interest for their promising performances in photocatalysis and photovoltaics applications. In particular, large quantities of two-dimensional (2D) nanosheets (...
32
14
SciPost Physics Core (2019): 001
In this work we investigate Wigner localization at very low densities by means of the exact diagonalization of the Hamiltonian. This yields numerically exact results. In particular, we study a quasi-one-dimensional system of two electrons that are confined to a ring by three-dime...
9
1
Physical review materials (2022)
We present a first-principles investigation of the electronic and optical properties of hybrid organic-inorganic interfaces consisting of MoS_2 monolayer and the π-conjugate molecules pyrene and pyridine. For both hybrid systems, the quasi-particle band structure obtained from th...
7
4
The geometry and energetics of the unreconstructed tin-and oxygen-terminated (100), (010), and (110) surfaces, the tin-terminated (111) surface, and the stoichiometric (001) surface of rutile-SnO2 are investigated. Total energies and relaxed atomic geometries are calculated withi...
33
3
Perturbation theory using self-consistent Green's functions is one of the most widely used approaches to study many-body effects in condensed matter. On the basis of general considerations and by performing analytical calculations for the specific example of the Hubbard atom, we ...
33
4
ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of electrons and nuclei, (molecules and periodic solids) within Density Functional Theory (DFT), Many-Body Perturbation Theor...
642
76
The discovery that a number of cobalt-dioxolene complexes undergo photoswitchable behavior was reported in the recent past. This phenomenon is always associated with valence tautomeric interconversion processes involving low-spin cobalt(III) and high-spin cobalt(II) species. Here...
38
0
We present a first-principles theory for the calculation of the macroscopic second-order susceptibility chi((2)), based on the time-dependent density-functional theory approach. Our method allows to include straightforwardly the many-body effects, such as crystal local fields and...
25
9
The size and doping dependence of the electron-hole exchange interaction in Si nanowires is investigated from first principles. In pure Si nanowires we found excitonic exchange splittings in very good agreement with the experimental results for porous silicon. For n-doped Si nano...
18
6
The nuclear dynamics of urea aqueous solution was analyzed by time resolved optical Kerr effect (OKE). The data analysis was achieved in time and in frequency domains. Three relaxation times characterize the time decay of the OKE signal at high mole fractions of urea, while only ...
38
0
To resolve the long standing controversy between experimentally measured reflectance anisotropy (RA) of C(111)2 x 1 surface and theoretically calculated optical response, we demonstrated that defects at the C(111) surface in the form of minor hydrogen contamination, missing carbo...
4
5