Szymon Szmiga, Fabio Della Sala, Paola Gori-Giorgi, Eduardo Fabiano

Self-consistent implementation of Kohn-Sham adiabatic connection models with improved treatment of the strong-interaction limit .

J. Chem. Theory Comput [],

Ilaria Elena Palamà, Gabriele Maiorano, Francesca Di Maria, Mattia Zangoli, Andrea Candini, Alberto Zanelli, Stefania D’Amone, Eduardo Fabiano, Giuseppe Gigli, Giovanna Barbarella

Spontaneous Coassembly of the Protein Terthiophene into Fluorescent Electroactive Microfibers in 2D and 3D Cell Cultures

ACS omega [American Chemical Society], Volume: 7 Issue: 15 Pages: 12624-12636

Stefan Vuckovic, Timothy Daas, Eduardo Fabiano, Fabio Della Sala, Paola Gori-Giorgi

Accurate non-covalent interactions from models for the Møller-Plesset adiabatic connection

Bulletin of the American Physical Society [American Physical Society],

S Śmiga, F Della Sala, P Gori-Giorgi, E Fabiano

Self-consistent Kohn-Sham calculations with adiabatic connection models

arXiv preprint arXiv:2202.11531 [],

Maria Michela Giangregorio, Salvatore Gambino, Eduardo Fabiano, Mauro Leoncini, Antonio Cardone, Giuseppina Anna Corrente, Amerigo Beneduci, Gianluca Accorsi, Giuseppe Gigli, Maria Losurdo, Roberto Termine, Agostina-Lina Capodilupo

Synthesis and Investigation of Electro-Optical Properties of H-Shape Dibenzofulvene Derivatives

Molecules [MDPI], Volume: 27 Issue: 3 Pages: 1091

Sylwia Siecińska, Szymon Śmiga, Ireneusz Grabowski, Fabio Della Sala, Eduardo Fabiano

Boosting the OEP2-sc method with spin-component scaling

Molecular Physics [],

Eduardo Fabiano, Fulvio Sarcinella, Lucian A. Constantin, Fabio Della Sala

Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives

Computation [], Volume: 10 Pages: 30

M Leoncini, A-L Capodilupo, D Altamura, C Giannini, G Accorsi, E Fabiano, A Rizzo, G Gigli, S Gambino

Correlating the chemical structure and charge transport ability of dibenzofulvene-based hole transporting materials for stable perovskite solar cells

Journal of Materials Chemistry C [Royal Society of Chemistry], Volume: 10 Issue: 15 Pages: 5981-5993

Lucian A Constantin, Fulvio Sarcinella, Eduardo Fabiano, Fabio Della Sala

Nonlocal exchange and correlation energy functionals using the Yukawa potential as ingredient: Application to the linear response of the uniform electron gas

Physical Review B [American Physical Society], Volume: 104 Issue: 16 Pages: 165114

Agostina-L Capodilupo, Eduardo Fabiano, Lorenzo Franco, Salvatore Gambino, Mauro Leoncini, Gianluca Accorsi, Giuseppe Gigli

Control of Electron Transfer Processes in Multidimensional Arylamine-Based Mixed-Valence Compounds by Molecular Backbone Design

The Journal of Physical Chemistry A [American Chemical Society],

Giulia Giannone, Szymon Śmiga, Stefania D’Agostino, Eduardo Fabiano, Fabio Della Sala

Plasmon Couplings from Subsystem Time-Dependent Density Functional Theory

The Journal of Physical Chemistry A [American Chemical Society], Volume: 125 Issue: 33 Pages: 7246-7259

Timothy J Daas, Eduardo Fabiano, Fabio Della Sala, Paola Gori-Giorgi, Stefan Vuckovic

Noncovalent interactions from models for the M {\o} ller-Plesset adiabatic connection

The journal of physical chemistry letters [American Chemical Society], Volume: 12 Pages: 4867-4875

Tiago Moreira, Francesca Di Maria, Mattia Zangoli, Eduardo Fabiano, Ilse Manet, Raffaello Mazzaro, Vittorio Morandi, Martina Marinelli, Giuseppe Gigli, António Jorge Parola, César AT Laia, Giovanna Barbarella

Processable Thiophene‐Based Polymers with Tailored Electronic Properties and their Application in Solid‐State Electrochromic Devices Using Nanoparticle Films

Advanced Electronic Materials [], Pages: 2100166

F Sarcinella, E Fabiano, LA Constantin, F Della Sala

Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals

Physical Review B [American Physical Society], Volume: 103 Issue: 15 Pages: 155127

Timothy J Daas, Eduardo Fabiano, Fabio Della Sala, Paola Gori-Giorgi, Stefan Vuckovic

Noncovalent interactions from models for the M {\o} ller-Plesset adiabatic connection

arXiv preprint arXiv:2104.04793 [],

Timothy Daas, Eduardo Fabiano, Fabio Della Sala, Paola Gori Giorgi, Stefan Vuckovic

Correlation functionals from the Møller-Plesset adiabatic connection: Accurate description of noncovalent interactions

Bulletin of the American Physical Society [American Physical Society],

Agostina-Lina Capodilupo, Francesca Manni, Giuseppina Anna Corrente, Gianluca Accorsi, Eduardo Fabiano, Antonio Cardone, Roberto Giannuzzi, Amerigo Beneduci, Giuseppe Gigli

Arylamino-fluorene derivatives: Optically induced electron transfer investigation, redox-controlled modulation of absorption and fluorescence

Dyes and Pigments [Elsevier], Volume: 177 Pages: 108325

Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi, Kieron Burke

MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory

Journal of chemical theory and computation [American Chemical Society], Volume: 16 Issue: 7 Pages: 4141-4149

Szymon Śmiga, Sylwia Siecińska, Eduardo Fabiano

Methods to generate reference total and Pauli kinetic potentials

Physical Review B [American Physical Society], Volume: 101 Issue: 16 Pages: 165144

Szymon Śmiga, Volodymyr Marusiak, Ireneusz Grabowski, Eduardo Fabiano

The ab initio density functional theory applied for spin-polarized calculations

The Journal of chemical physics [AIP Publishing LLC], Volume: 152 Issue: 5 Pages: 054109

Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi, Kieron Burke

VU Research Portal

J. Chem. Theory Comput [], Volume: 16 Pages: 4141-4149

Szymon Śmiga, Lucian A Constantin, Fabio Della Sala, Eduardo Fabiano

The Role of the Reduced Laplacian Renormalization in the Kinetic Energy Functional Development

Computation [Multidisciplinary Digital Publishing Institute], Volume: 7 Issue: 4 Pages: 65

Francesca Manni, Eduardo Fabiano, Guy J Clarkson, Gianluca Accorsi, Antonio Fieramosca, Concetta Nobile, Michela Saracino, Alberto Zanelli, Angeles Farran, Daniele Sanvitto, Giuseppe Gigli, Agostina-Lina Capodilupo

Tailoring of the self-assembled structures and optical waveguide behaviour of arylaminofluorenone derivatives

Dyes and Pigments [Elsevier], Volume: 171 Pages: 107780

Fabio Della Sala, Maria Pezzolla, Stefania D’Agostino, Eduardo Fabiano

Ab initio Plasmonics of Externally Doped Silicon Nanocrystals

ACS Photonics [American Chemical Society], Volume: 6 Issue: 6 Pages: 1474-1484

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Performance of semilocal kinetic-energy functionals for Orbital-Free Density Functional Theory

Journal of chemical theory and computation [American Chemical Society], Volume: 15 Issue: 5 Pages: 3044-3055

Giuseppina A Corrente, Eduardo Fabiano, Massimo La Deda, Francesca Manni, Giuseppe Gigli, Giuseppe Chidichimo, Agostina-L Capodilupo, Amerigo Beneduci

High-Performance Electrofluorochromic Switching Devices Using a Novel Arylamine-Fluorene Redox-Active Fluorophore

ACS applied materials & interfaces [American Chemical Society], Volume: 11 Issue: 13 Pages: 12202-12208

Eduardo Fabiano, Szymon Śmiga, Sara Giarrusso, Timothy J Daas, Fabio Della Sala, Ireneusz Grabowski, Paola Gori-Giorgi

Investigation of the exchange-correlation potentials of functionals based on the adiabatic connection interpolation

Journal of chemical theory and computation [American Chemical Society], Volume: 15 Issue: 2 Pages: 1006-1015

Michael Seidl, Sara Giarrusso, Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi

Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

The Journal of chemical physics [AIP Publishing LLC], Volume: 149 Issue: 24 Pages: 241101

Michael Seidl, Sara Giarrusso, Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi

Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

arXiv preprint arXiv:1810.11249 [],

Eduardo Fabiano, S Śmiga, Sara Giarrusso, Timothy J Daas, Fabio Della Sala, Ireneusz Grabowski, Paola Gori-Giorgi

Investigation of the exchange-correlation potential of functionals based on the adiabatic connection interpolation

arXiv preprint arXiv:1810.08458 [],

Sara Giarrusso, Paola Gori-Giorgi, Fabio Della Sala, Eduardo Fabiano

Erratum:“Assessment of interaction-strength interpolation formulas for gold and silver clusters”[J. Chem. Phys. 148, 134106 (2018)]

The Journal of chemical physics [AIP Publishing LLC], Volume: 149 Issue: 7 Pages: 079902

Sara Giarrusso, Paola Gori-Giorgi, Fabio Della Sala, Eduardo Fabiano

Erratum:" Assessment of interaction-strength interpolation formulas for gold and silver clusters (Journal of Chemical Physics (2018)"

Journal of Chemical Physics [], Volume: 149 Issue: 7 Pages: 1-2

Francesca Di Maria, Mattia Zangoli, Massimo Gazzano, Eduardo Fabiano, Denis Gentili, Alberto Zanelli, Andrea Fermi, Giacomo Bergamini, Davide Bonifazi, Andrea Perinot, Mario Caironi, Raffaello Mazzaro, Vittorio Morandi, Giuseppe Gigli, Andrea Liscio, Giovanna Barbarella

Controlling the Functional Properties of Oligothiophene Crystalline Nano/Microfibers via Tailoring of the Self‐Assembling Molecular Precursors

Advanced Functional Materials [], Volume: 28 Issue: 32 Pages: 1801946

Giuseppina Anna Corrente, Eduardo Fabiano, Francesca Manni, Giuseppe Chidichimo, Giuseppe Gigli, Amerigo Beneduci, Agostina-Lina Capodilupo

Colorless to All-Black Full-NIR High-Contrast Switching in Solid Electrochromic Films Prepared with Organic Mixed Valence Systems Based on Dibenzofulvene Derivatives

Chemistry of Materials [American Chemical Society], Volume: 30 Issue: 16 Pages: 5610-5620

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

The journal of physical chemistry letters [American Chemical Society], Volume: 9 Issue: 15 Pages: 4385-4390

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

Physical Review B [American Physical Society], Volume: 97 Issue: 20 Pages: 205137

Stefan Vuckovic, Paola Gori-Giorgi, Fabio Della Sala, Eduardo Fabiano

Restoring size consistency of approximate functionals constructed from the adiabatic connection

The journal of physical chemistry letters [American Chemical Society], Volume: 9 Issue: 11 Pages: 3137-3142

Sara Giarrusso, Paola Gori-Giorgi, Fabio Della Sala, Eduardo Fabiano

Assessment of interaction-strength interpolation formulas for gold and silver clusters

The Journal of chemical physics [AIP Publishing LLC], Volume: 148 Issue: 13 Pages: 134106

Aleksandr V Terentjev, Pietro Cortona, Lucian A Constantin, José M Pitarke, Fabio Della Sala, Eduardo Fabiano

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Computation [Multidisciplinary Digital Publishing Institute], Volume: 6 Issue: 1 Pages: 7

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Modified fourth-order kinetic energy gradient expansion with Hartree potential dependent coefficients

Journal of chemical theory and computation [American Chemical Society], Volume: 13 Issue: 9 Pages: 4228-4239

Luana Persano, Andrea Camposeo, Aleksandr V Terentjevs, Fabio Della Sala, Eduardo Fabiano, Martina Montinaro, Dario Pisignano

Electrostatic Mechanophores in Tuneable Light‐Emitting Piezopolymer Nanowires

Advanced Materials [], Volume: 29 Issue: 29 Pages: 1701031

Eduardo Fabiano, Pietro Cortona

Dispersion corrections applied to the TCA family of exchange-correlation functionals

Theoretical Chemistry Accounts [Springer Berlin Heidelberg], Volume: 136 Issue: 8 Pages: 1-11

Giuseppina Anna Corrente, Eduardo Fabiano, Luisa De Marco, Gianluca Accorsi, Roberto Giannuzzi, Antonio Cardone, Giuseppe Gigli, Giuseppe Ciccarella, Agostina-Lina Capodilupo

Effects of donor position on dibenzofulvene-based organic dyes for photovoltaics

Journal of Materials Science: Materials in Electronics [Springer US], Volume: 28 Issue: 12 Pages: 8694-8707

Lucian A Constantin, Eduardo Fabiano, Szymon Śmiga, Fabio Della Sala

Jellium-with-gap model applied to semilocal kinetic functionals

Physical Review B [American Physical Society], Volume: 95 Issue: 11 Pages: 115153

Szymon Śmiga, Eduardo Fabiano, Lucian A Constantin, Fabio Della Sala

Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals

The Journal of chemical physics [AIP Publishing LLC], Volume: 146 Issue: 6 Pages: 064105

Szymon Śmiga, Eduardo Fabiano

Approximate solution of Coupled Cluster equations: Application to the Coupled Cluster Doubles method and non-covalent interacting systems.

Physical Chemistry Chemical Physics [Royal Society of Chemistry], Volume: 19 Issue: 44 Pages: 30249-30260

A Beneduci, GA Corrente, E Fabiano, V Maltese, S Cospito, G Ciccarella, G Chidichimo, G Gigli, A-L Capodilupo

Orthogonal electronic coupling in multicentre arylamine mixed-valence compounds based on a dibenzofulvene–thiophene conjugated bridge

Chemical Communications [Royal Society of Chemistry], Volume: 53 Issue: 64 Pages: 8960-8963

Amerigo Beneduci, Giuseppina Anna Corrente, Eduardo Fabiano, Vito Maltese, Sante Cospito, Giuseppe Ciccarella, Giuseppe Chidichimo, Giuseppe Gigli, Agostina Lina Capodilupo

Orthogonal electronic coupling in multicenter arylamine mixed-valence compounds based on a dibenzofulvene-thiophene conjugated bridge

Chemical Communications [Royal Society of Chemistry],

Eduardo Fabiano, Paola Gori-Giorgi, Michael Seidl, Fabio Della Sala

The interaction-strength interpolation method for main-group chemistry: benchmarking, limitations, and perspectives

Journal of chemical theory and computation [American Chemical Society], Volume: 12 Issue: 10 Pages: 4885-4896

Francesca Di Maria, Mattia Zangoli, Ilaria Elena Palamá, Eduardo Fabiano, Alberto Zanelli, Magda Monari, Andrea Perinot, Mario Caironi, Vincenzo Maiorano, Antonio Maggiore, Marco Pugliese, Elisabetta Salatelli, Giuseppe Gigli, Ilenia Viola, Giovanna Barbarella

Improving the Property–Function Tuning Range of Thiophene Materials via Facile Synthesis of Oligo/Polythiophene‐S‐Oxides and Mixed Oligo/Polythiophene‐S‐Oxides/Oligo/Polythiophene‐S, S‐Dioxides

Advanced Functional Materials [], Volume: 26 Issue: 38 Pages: 6970-6984

A-L Capodilupo, R Giannuzzi, GA Corrente, L De Marco, E Fabiano, A Cardone, G Gigli, G Ciccarella

Synthesis and photovoltaic performance of dibenzofulvene-based organic sensitizers for DSSC

Tetrahedron [Pergamon], Volume: 72 Issue: 38 Pages: 5788-5797

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Hartree potential dependent exchange functional

The Journal of chemical physics [AIP Publishing LLC], Volume: 145 Issue: 8 Pages: 084110

Szymon Śmiga, Fabio Della Sala, Adam Buksztel, Ireneusz Grabowski, Eduardo Fabiano

Accurate Kohn–Sham ionization potentials from scaled‐opposite‐spin second‐order optimized effective potential methods

Journal of computational chemistry [], Volume: 37 Issue: 22 Pages: 2081-2090

Antonio Maggiore, Marco Pugliese, Francesca Di Maria, Gianluca Accorsi, Massimo Gazzano, Eduardo Fabiano, Vittorianna Tasco, Marco Esposito, Massimo Cuscunà, Laura Blasi, Agostina Capodilupo, Giuseppe Ciccarella, Giuseppe Gigli, Vincenzo Maiorano

Exploiting Photo-and Electroluminescence Properties of FIrpic Organic Crystals

Inorganic chemistry [American Chemical Society], Volume: 55 Issue: 13 Pages: 6532-6538

Agostina L Capodilupo, Luisa De Marco, Giuseppina A Corrente, Roberto Giannuzzi, Eduardo Fabiano, Antonio Cardone, Giuseppe Gigli, Giuseppe Ciccarella

Synthesis and characterization of a new series of dibenzofulvene based organic dyes for DSSCs

Dyes and Pigments [Elsevier], Volume: 130 Pages: 79-89

Agostina-Lina Capodilupo, Viviana Vergaro, Gianluca Accorsi, Eduardo Fabiano, Francesca Baldassarre, Giuseppina Anna Corrente, Giuseppe Gigli, Giuseppe Ciccarella

A series of diphenylamine-fluorenone derivatives as potential fluorescent probes for neuroblastoma cell staining

Tetrahedron [Pergamon], Volume: 72 Issue: 22 Pages: 2920-2928

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Kinetic and Exchange Energy Densities near the Nucleus

Computation [Multidisciplinary Digital Publishing Institute], Volume: 4 Issue: 2 Pages: 19

Agostina L Capodilupo, Eduardo Fabiano, Luisa De Marco, Giuseppe Ciccarella, Giuseppe Gigli, Carmela Martinelli, Antonio Cardone

[1] Benzothieno [3, 2-b] benzothiophene-Based Organic Dyes for Dye-Sensitized Solar Cells

The Journal of organic chemistry [American Chemical Society], Volume: 81 Issue: 8 Pages: 3235-3245

Lucian A Constantin, Eduardo Fabiano, JM Pitarke, Fabio Della Sala

Semilocal density functional theory with correct surface asymptotics

Physical Review B [American Physical Society], Volume: 93 Issue: 11 Pages: 115127

Lucian A Constantin, Aleksandrs Terentjevs, Fabio Della Sala, Pietro Cortona, Eduardo Fabiano

Semiclassical atom theory applied to solid-state physics

Physical Review B [American Physical Society], Volume: 93 Issue: 4 Pages: 045126

Francesca Di Maria, Mariano Biasiucci, Francesco Paolo Di Nicola, Eduardo Fabiano, Alberto Zanelli, Massimo Gazzano, Elisabetta Salatelli, Massimiliano Lanzi, Fabio Della Sala, Giuseppe Gigli, Giovanna Barbarella

Nanoscale Characterization and Unexpected Photovoltaic Behaviour of Low Bandgap Sulfur-Overrich-Thiophene/Benzothiadiazole Decamers and Polymers

The Journal of Physical Chemistry C [American Chemical Society], Volume: 119 Issue: 49 Pages: 27200-27211

E Fabiano, LA Constantin, A Terentjevs, Fabio Della Sala, P Cortona

Assessment of the TCA functional in computational chemistry and solid-state physics

Theoretical Chemistry Accounts [Springer Berlin Heidelberg], Volume: 134 Issue: 11 Pages: 1-14

E Fabiano, F Della Sala, I Grabowski

Accurate non-covalent interaction energies via an efficient MP2 scaling procedure

Chemical Physics Letters [North-Holland], Volume: 635 Pages: 262-267

Szymon Śmiga, Eduardo Fabiano, Savio Laricchia, Lucian A Constantin, Fabio Della Sala

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals

The Journal of chemical physics [AIP Publishing LLC], Volume: 142 Issue: 15 Pages: 154121

Carlo Giansante, Ivan Infante, Eduardo Fabiano, Roberto Grisorio, Gian Paolo Suranna, Giuseppe Gigli

“Darker-than-Black” PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands

Journal of the American Chemical Society [American Chemical Society], Volume: 137 Issue: 5 Pages: 1875-1886

Lucian A Constantin, Aleksandrs Terentjevs, Fabio Della Sala, Eduardo Fabiano

Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory

Physical Review B [American Physical Society], Volume: 91 Issue: 4 Pages: 041120

Fabio Della Sala, Eduardo Fabiano, Lucian A Constantin

Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals

Physical Review B [American Physical Society], Volume: 91 Issue: 3 Pages: 035126

Eduardo Fabiano, Lucian A Constantin, Pietro Cortona, Fabio Della Sala

Global hybrids from the semiclassical atom theory satisfying the local density linear response

Journal of chemical theory and computation [American Chemical Society], Volume: 11 Issue: 1 Pages: 122-131

AL Capodilupo, V Vergaro, E Fabiano, Milena De Giorgi, F Baldassarre, Antonio Cardone, A Maggiore, V Maiorano, D Sanvitto, G Gigli, G Ciccarella

Design and synthesis of fluorenone-based dyes: two-photon excited fluorescent probes for imaging of lysosomes and mitochondria in living cells

Journal of Materials Chemistry B [Royal Society of Chemistry], Volume: 3 Issue: 16 Pages: 3315-3323

Eduardo Fabiano, Lucian A Constantin, Pietro Cortona, Fabio Della Sala

Global hybrids from the semiclassical atom theory satisfying the local density linear response

Journal of chemical theory and computation [American Chemical Society], Volume: 11 Issue: 1 Pages: 122-131

E Fabiano, LA Constantin, F Della Sala

Wave Function and Density Functional Theory Studies of Dihydrogen Complexes

Journal of chemical theory and computation [American Chemical Society], Volume: 10 Issue: 8 Pages: 3151-3162

Francesca Di Maria, Eduardo Fabiano, Denis Gentili, Mariano Biasiucci, Tommaso Salzillo, Giacomo Bergamini, Massimo Gazzano, Alberto Zanelli, Aldo Brillante, Massimiliano Cavallini, Fabio Della Sala, Giuseppe Gigli, Giovanna Barbarella

Polymorphism in Crystalline Microfibers of Achiral Octithiophene: The Effect on Charge Transport, Supramolecular Chirality and Optical Properties

Advanced Functional Materials [], Volume: 24 Issue: 31 Pages: 4943-4951

Ireneusz Grabowski, Eduardo Fabiano, Andrew M Teale, Szymon Śmiga, Adam Buksztel, Fabio Della Sala

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method

The Journal of chemical physics [American Institute of Physics], Volume: 141 Issue: 2 Pages: 024113

Eduardo Fabiano, Paolo E Trevisanutto, Aleksandrs Terentjevs, Lucian A Constantin

Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model

Journal of chemical theory and computation [American Chemical Society], Volume: 10 Issue: 5 Pages: 2016-2026

Eduardo Fabiano, Savio Laricchia, Fabio Della Sala

Frozen density embedding with non-integer subsystems’ particle numbers

The Journal of chemical physics [American Institute of Physics], Volume: 140 Issue: 11 Pages: 114101

Ireneusz Grabowski, Andrew M Teale, Eduardo Fabiano, Szymon Śmiga, Adam Buksztel, Fabio Della Sala

A density difference based analysis of orbital-dependent exchange-correlation functionals

Molecular Physics [Taylor & Francis], Volume: 112 Issue: 5-6 Pages: 700-710

Savio Laricchia, Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional …

Journal of chemical theory and computation [American Chemical Society], Volume: 10 Issue: 1 Pages: 164-179

Agostina Lina Capodilupo, Luisa De Marco, Eduardo Fabiano, Roberto Giannuzzi, Angela Scrascia, Claudia Carlucci, Giuseppina Anna Corrente, Maria Pia Cipolla, Giuseppe Gigli, Giuseppe Ciccarella

New organic dyes based on a dibenzofulvene bridge for highly efficient dye-sensitized solar cells

Journal of Materials Chemistry A [Royal Society of Chemistry], Volume: 2 Issue: 34 Pages: 14181-14188

Xiuhua Li, Jinxiong Tao, Guanghui Nie, Liuchan Wang, Shijun Liao

Cross-linked multiblock copoly (arylene ether sulfone) ionomer/nano-ZrO 2 composite anion exchange membranes for alkaline fuel cells

RSC Advances [Royal Society of Chemistry], Volume: 4 Issue: 78 Pages: 41398-41410

Savio Laricchia, Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theory

Journal of chemical theory and computation [American Chemical Society], Volume: 10 Issue: 1 Pages: 164-179

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals

Physical Review B [American Physical Society], Volume: 88 Issue: 12 Pages: 125112

E Fabiano

Computational Molecular Photophysics

Handbook of Molecular Plasmonics [CRC Press], Pages: 175

S Laricchia, E Fabiano, F Della Sala

Erratum:“Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes”[J. Chem. Phys. 138, 124112 (2013)]

The Journal of Chemical Physics [American Institute of Physics], Volume: 138 Issue: 20 Pages: 209901

E Fabiano, Lucian A Constantin, F Della Sala

Erratum: Testing the broad applicability of the PBEint GGA functional and its one‐parameter hybrid form

International Journal of Quantum Chemistry [Wiley Subscription Services, Inc., A Wiley Company], Volume: 113 Issue: 10 Pages: 1600-1600

Lucian A Constantin, Eduardo Fabiano, F Della Sala

Meta-GGA exchange-correlation functional with a balanced treatment of nonlocality

Journal of chemical theory and computation [American Chemical Society], Volume: 9 Issue: 5 Pages: 2256-2263

Akhilesh Tanwar, Eduardo Fabiano, Paolo Emilio Trevisanutto, Letizia Chiodo, Fabio Della Sala

Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory

The European Physical Journal B [Springer-Verlag], Volume: 86 Issue: 4 Pages: 1-6

S Laricchia, E Fabiano, F Della Sala

Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes

The Journal of chemical physics [American Institute of Physics], Volume: 138 Issue: 12 Pages: 124112

E Fabiano, Lucian A Constantin, F Della Sala

Testing the broad applicability of the PBEint GGA functional and its one‐parameter hybrid form

International Journal of Quantum Chemistry [Wiley Subscription Services, Inc., A Wiley Company], Volume: 113 Issue: 5 Pages: 673-682

I Grabowski, E Fabiano, F Della Sala

Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory

Physical Review B [American Physical Society], Volume: 87 Issue: 7 Pages: 075103

Eduardo Fabiano, Lucian A Constantin

Relevance of coordinate and particle-number scaling in density-functional theory

Physical Review A [American Physical Society], Volume: 87 Issue: 1 Pages: 012511

Angela Scrascia, Luisa De Marco, Savio Laricchia, Rosaria Anna Picca, Claudia Carlucci, Eduardo Fabiano, Agostina Lina Capodilupo, Fabio Della Sala, Giuseppe Gigli, Giuseppe Ciccarella

Fluorine–thiophene-substituted organic dyes for dye sensitized solar cells

Journal of Materials Chemistry A [Royal Society of Chemistry], Volume: 1 Issue: 38 Pages: 11909-11921

Ireneusz Grabowski, Eduardo Fabiano, Fabio Della Sala

A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems

Physical Chemistry Chemical Physics [Royal Society of Chemistry], Volume: 15 Issue: 37 Pages: 15485-15493

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Spin-dependent gradient correction for more accurate atomization energies of molecules

The Journal of chemical physics [American Institute of Physics], Volume: 137 Issue: 19 Pages: 194105

IV Bodrenko, M Sierka, E Fabiano, F Della Sala

A periodic charge-dipole electrostatic model: Parametrization for silver slabs

The Journal of chemical physics [American Institute of Physics], Volume: 137 Issue: 13 Pages: 134702

Eduardo Fabiano, Fabio Della Sala

Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations

Theoretical Chemistry Accounts [Springer-Verlag], Volume: 131 Issue: 10 Pages: 1-10

Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Semilocal dynamical correlation with increased localization

Physical Review B [American Physical Society], Volume: 86 Issue: 3 Pages: 035130

S Laricchia, E Fabiano, F Della Sala

On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies

The Journal of chemical physics [American Institute of Physics], Volume: 137 Issue: 1 Pages: 014102

Letizia Chiodo, Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala

Nonuniform scaling applied to surface energies of transition metals

Physical review letters [American Physical Society], Volume: 108 Issue: 12 Pages: 126402

Aleksandrs Terentjevs, Eduardo Fabiano, Fabio Della Sala

Theoretical investigation of molecular excited states in polar organic monolayers via an efficient embedding approach

Theoretical Chemistry Accounts [Springer-Verlag], Volume: 131 Issue: 3 Pages: 1-8

Lucian A Constantin, E Fabiano, F Della Sala

Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis

Physical Review B [American Physical Society], Volume: 84 Issue: 23 Pages: 233103

S Laricchia, E Fabiano, F Della Sala

Frozen density embedding calculations with the orbital-dependent localized Hartree–Fock Kohn–Sham potential

Chemical Physics Letters [North-Holland], Volume: 518 Pages: 114-118

F Della Sala, E Fabiano

Accurate singlet and triplet excitation energies using the Localized Hartree–Fock Kohn–Sham potential

Chemical Physics [North-Holland], Volume: 391 Issue: 1 Pages: 19-26

Ilaria Palama, Francesca Di Maria, Ilenia Viola, Eduardo Fabiano, Giuseppe Gigli, Cristian Bettini, Giovanna Barbarella

Live-cell-permeant thiophene fluorophores and cell-mediated formation of fluorescent fibrils

Journal of the American Chemical Society [American Chemical Society], Volume: 133 Issue: 44 Pages: 17777-17785

E Fabiano, Lucian A Constantin, F Della Sala

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor

Journal of chemical theory and computation [American Chemical Society], Volume: 7 Issue: 11 Pages: 3548-3559

Aleksandrs Terentjevs, Mary P Steele, Michael L Blumenfeld, Nahid Ilyas, Leah L Kelly, Eduardo Fabiano, Oliver LA Monti, Fabio Della Sala

Interfacial electronic structure of the dipolar vanadyl naphthalocyanine on Au (111):“Push-back” vs dipolar effects

The Journal of Physical Chemistry C [American Chemical Society], Volume: 115 Issue: 43 Pages: 21128-21138

S Laricchia, E Fabiano, LA Constantin, F Della Sala

Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions

Journal of chemical theory and computation [American Chemical Society], Volume: 7 Issue: 8 Pages: 2439-2451

Lucian A Constantin, Letizia Chiodo, Eduardo Fabiano, Igor Bodrenko, Fabio Della Sala

Correlation energy functional from jellium surface analysis

Physical Review B [American Physical Society], Volume: 84 Issue: 4 Pages: 045126

Zhenggang Lan, You Lu, Eduardo Fabiano, Walter Thiel

QM/MM Nonadiabatic Decay Dynamics of 9H‐Adenine in Aqueous Solution

ChemPhysChem [WILEY‐VCH Verlag], Volume: 12 Issue: 10 Pages: 1989-1998

E Fabiano, Lucian A Constantin, F Della Sala

Exchange-correlation generalized gradient approximation for gold nanostructures

The Journal of chemical physics [American Institute of Physics], Volume: 134 Issue: 19 Pages: 194112

Lucian A Constantin, E Fabiano, S Laricchia, F Della Sala

Semiclassical neutral atom as a reference system in density functional theory

Physical review letters [American Physical Society], Volume: 106 Issue: 18 Pages: 186406

S Laricchia, E Fabiano, F Della Sala

Frozen density embedding with hybrid functionals

The Journal of chemical physics [American Institute of Physics], Volume: 133 Issue: 16 Pages: 164111

Fabio Della Sala, Eduardo Fabiano, Savio Laricchia, Stefania D'Agostino, Manuel Piacenza

The role of exact‐exchange in the theoretical description of organic‐metal interfaces

International Journal of Quantum Chemistry [Wiley Subscription Services, Inc., A Wiley Company], Volume: 110 Issue: 12 Pages: 2162-2171

Eduardo Fabiano, Lucian A Constantin, Fabio Della Sala

Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces

Physical Review B [American Physical Society], Volume: 82 Issue: 11 Pages: 113104

Roberto Grisorio, Giovanna Melcarne, Gian Paolo Suranna, Piero Mastrorilli, CF Nobile, P Cosma, Paola Fini, Silvia Colella, Eduardo Fabiano, Manuel Piacenza, F Della Sala, G Ciccarella, Marco Mazzeo, Giuseppe Gigli

First disubstituted dibenzothiophene-5, 5-dioxide monodispersed molecular materials for efficient blue-electroluminescence

Journal of Materials Chemistry [Royal Society of Chemistry], Volume: 20 Issue: 5 Pages: 1012-1018

Michael Seidl, Sara Giarrusso, Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi

VU Research Portal

PHYSICAL REVIEW A [], Volume: 81 Pages: 012508

Silvia Colella, Marco Mazzeo, Roberto Grisorio, Eduardo Fabiano, Giovanna Melcarne, Sonia Carallo, M Daniela Angione, Luisa Torsi, Gian Paolo Suranna, Fabio Della Sala, Piero Mastrorilli, Giuseppe Gigli

Monodispersed molecular donors for bulk hetero-junction solar cells: from molecular properties to device performances

Chemical communications [Royal Society of Chemistry], Volume: 46 Issue: 34 Pages: 6273-6275

E Fabiano, M Piacenza, S D’Agostino, F Della Sala

Towards an accurate description of the electronic properties of the biphenylthiol/gold interface: The role of exact exchange

The Journal of chemical physics [American Institute of Physics], Volume: 131 Issue: 23 Pages: 234101

M Piacenza, S D’Agostino, E Fabiano, F Della Sala

Ab initio depolarization in self-assembled molecular monolayers: Beyond conventional density-functional theory

Physical Review B [American Physical Society], Volume: 80 Issue: 15 Pages: 153101

Zhenggang Lan, Eduardo Fabiano, Walter Thiel

Photoinduced Nonadiabatic Dynamics of 9H‐Guanine

ChemPhysChem [WILEY‐VCH Verlag], Volume: 10 Issue: 8 Pages: 1225-1229

Zhenggang Lan, Eduardo Fabiano, Walter Thiel

Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods

The Journal of Physical Chemistry B [American Chemical Society], Volume: 113 Issue: 11 Pages: 3548-3555

E Fabiano, M Piacenza, F Della Sala

Structural and electronic properties of gold microclusters: assessment of the localized Hartree–Fock method

Physical Chemistry Chemical Physics [Royal Society of Chemistry], Volume: 11 Issue: 40 Pages: 9160-9169

E Fabiano, W Thiel

Nonradiative deexcitation dynamics of 9H-adenine: An OM2 surface hopping study

The Journal of Physical Chemistry A [American Chemical Society], Volume: 112 Issue: 30 Pages: 6859-6863

E Fabiano, G Groenhof, W Thiel

Approximate switching algorithms for trajectory surface hopping

Chemical Physics [North-Holland], Volume: 351 Issue: 1-3 Pages: 111-116

E Fabiano, TW Keal, W Thiel

Implementation of surface hopping molecular dynamics using semiempirical methods

Chemical Physics [North-Holland], Volume: 349 Issue: 1-3 Pages: 334-347

Manuel Piacenza, F Della Sala, Eduardo Fabiano, T Maiolo, G Gigli

Torsional effects on excitation energies of thiophene derivatives induced by β‐substituents: Comparison between time‐dependent density functional theory and approximated coupled cluster approaches

Journal of computational chemistry [Wiley Subscription Services, Inc., A Wiley Company], Volume: 29 Issue: 3 Pages: 451-457

E Fabiano, F Della Sala

Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap

The Journal of chemical physics [American Institute of Physics], Volume: 126 Issue: 21 Pages: 214102

Timothy L Kelly, Michael CW Lam, Michael O Wolf, Giovanna Barbarella, Massimo Zambianchi, Alfredo Ventola, Eduardo Fabiano, Fabio Della Sala, Giuseppe Gigli, Marco Anni, Andrea Bolognesi, Letizia Polito, Marina Naldi, Massimo Capobianco

BRIGHT OLIGOTHIOPHENE N-SUCCINIMIDYL ES-TERS FOR EFFICIENT FLUORESCENT LABELING OF PROTEINS AND OLIGONUCLEOTIDES

Bioconjugate Chem [], Volume: 18 Pages: 1015

E Fabiano, F Della Sala, G Barbarella, S Lattante, M Anni, G Sotgiu, C Hättig, R Cingolani, G Gigli

Optical properties of N-succinimidyl bithiophene and the effects of the binding to biomolecules: Comparison between coupled-cluster and time-dependent density functional theory calculations and experiments

The Journal of Physical Chemistry B [American Chemical Society], Volume: 110 Issue: 37 Pages: 18651-18660

E Fabiano, F Della Sala

Theoretical study on N-succinimidyl oligothiophenes: A novel class of materials for biological applications

Journal of non-crystalline solids [North-Holland], Volume: 352 Issue: 23-25 Pages: 2452-2456

E Fabiano, F Della Sala

Torsional potential of π-conjugated molecules using the localized Hartree–Fock Kohn–Sham exchange potential

Chemical physics letters [North-Holland], Volume: 418 Issue: 4-6 Pages: 496-501

Giovanna Barbarella, Massimo Zambianchi, Alfredo Ventola, Eduardo Fabiano, Fabio Della Sala, Giuseppe Gigli, Marco Anni, Andrea Bolognesi, Letizia Polito, Marina Naldi, Massimo Capobianco

Bright oligothiophene N-succinimidyl esters for efficient fluorescent labeling of proteins and oligonucleotides

Bioconjugate chemistry [American Chemical Society], Volume: 17 Issue: 1 Pages: 58-67

E Fabiano, F Della Sala, R Cingolani, M Weimer, A Görling

Theoretical study of singlet and triplet excitation energies in oligothiophenes

The Journal of Physical Chemistry A [American Chemical Society], Volume: 109 Issue: 13 Pages: 3078-3085

M Anni, F Della Sala, MF Raganato, E Fabiano, S Lattante, R Cingolani, G Gigli, G Barbarella, L Favaretto, A Görling

Nonradiative relaxation in thiophene-S, S-dioxide derivatives: the role of the environment

The Journal of Physical Chemistry B [American Chemical Society], Volume: 109 Issue: 12 Pages: 6004-6011