List of works - Fabio Della Sala

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

scientific article published on 4 November 2013

A periodic charge-dipole electrostatic model. II. A kinetic-exchange-correlation correction

scientific article

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

scientific article published on 01 October 2012

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

scientific article published on 01 October 2013

Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory

scientific article published on 24 April 2009

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

scientific article published on 30 June 2016

Active role of oxide layers on the polarization of plasmonic nanostructures

scientific article

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

scientific article published on 01 April 2018

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

scientific article

CLiC ⬇️

journal article published in Biblioteche Oggi

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

scientific article

Correlation energy functional from jellium surface analysis

scientific article

Determination of Band Offsets in Heterostructured Colloidal Nanorods Using Scanning Tunneling Spectroscopy

scientific article published on 09 August 2008

Electrostatic spin crossover effect in polar magnetic molecules

scientific article published on 30 August 2009

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

scientific article published on 01 August 2018

Experimental and computational studies on non-covalent imprinted microspheres as recognition system for nicotinamide molecules.

scientific article published on 17 July 2009

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

article

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

scientific article published on 20 July 2011

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

scientific article

Imaging Photoelectron Transmission through Self-Assembled Monolayers: The Work-Function of Alkanethiols Coated Gold

scientific article published on 19 April 2007

Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation

scientific article published on 24 January 2019

Jellium-with-gap model applied to semilocal kinetic functionals

scientific article

Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory ⬇️

scientific article published on 01 January 2014

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

scientific article published in February 2017

Large blue-shift in the optical spectra of fluorinated polyphenylenevinylenes. A combined theoretical and experimental study.

scientific article

Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality.

scientific article published on 19 April 2013

Metallic-like stoichiometric copper sulfide nanocrystals: phase- and shape-selective synthesis, near-infrared surface plasmon resonance properties, and their modeling

scientific article

Microwave-assisted synthesis of thiophene fluorophores, labeling and multilabeling of monoclonal antibodies, and long lasting staining of fixed cells

scientific article

Minimal auxiliary basis set for time-dependent density functional theory and comparison with tight-binding approximations: Application to silver nanoparticles

scientific article published on 01 August 2020

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

scientific article published on 21 August 2017

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

scientific article published on 30 July 2010

Multiexciton Engineering in Seeded Core/Shell Nanorods: Transfer from Type-I to Quasi-type-II Regimes

scientific article published on 01 October 2009

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

scientific article published on 01 March 2005

Nonuniform scaling applied to surface energies of transition metals

scientific article published on 21 March 2012

Observation and control of coherent torsional dynamics in a quinquethiophene molecule

scientific article published on 27 May 2010

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

scientific article published in July 2012

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.

scientific article published in September 2006

Optical properties of tetrapod-shaped CdTe nanocrystals

scientific article published on 28 November 2005

Optical spectra of solids obtained by time-dependent density functional theory with the jellium-with-gap-model exchange-correlation kernel

scientific article

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

scientific article published in July 2014

Orbital-free methods for plasmonics: Linear response

scientific article published in 2022

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

scientific article published on 19 April 2019

Plasmon Couplings from Subsystem Time-Dependent Density Functional Theory

scientific article published on 17 August 2021

Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection.

scientific article

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

scientific article published on 23 July 2018

Semilocal dynamical correlation with increased localization

scientific article

Shaping white light through electroluminescent fully organic coupled microcavities

scientific article published on 01 November 2010

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

scientific article

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

scientific article published in November 2012

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

scientific article published on 12 August 2009

Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study

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

scientific article published on 01 April 2015

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

scientific article published on 12 November 2019

Theoretical study on oligothiophene N-succinimidyl esters: size and push-pull effects.

scientific article

Torsional effects on excitation energies of thiophene derivatives induced by beta-substituents: comparison between time-dependent density functional theory and approximated coupled cluster approaches

scientific article published on 01 February 2008

Toward Quantum-dot Cellular Automata units: thiolated-carbazole linked bisferrocenes.

scientific article published on 12 December 2011

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

scientific article published on 10 October 2011

Ultrafast Electron−Hole Dynamics in Core/Shell CdSe/CdS Dot/Rod Nanocrystals

scientific article published on 01 December 2008

List of works by Fabio Della Sala

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

A periodic charge-dipole electrostatic model. II. A kinetic-exchange-correlation correction

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

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

Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory

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

Active role of oxide layers on the polarization of plasmonic nanostructures

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

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

CLiC ⬇️

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

Correlation energy functional from jellium surface analysis

Determination of Band Offsets in Heterostructured Colloidal Nanorods Using Scanning Tunneling Spectroscopy

Electrostatic spin crossover effect in polar magnetic molecules

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

Experimental and computational studies on non-covalent imprinted microspheres as recognition system for nicotinamide molecules.

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

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

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

Imaging Photoelectron Transmission through Self-Assembled Monolayers: The Work-Function of Alkanethiols Coated Gold

Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation

Jellium-with-gap model applied to semilocal kinetic functionals

Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory ⬇️

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

Large blue-shift in the optical spectra of fluorinated polyphenylenevinylenes. A combined theoretical and experimental study.

Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality.

Metallic-like stoichiometric copper sulfide nanocrystals: phase- and shape-selective synthesis, near-infrared surface plasmon resonance properties, and their modeling

Microwave-assisted synthesis of thiophene fluorophores, labeling and multilabeling of monoclonal antibodies, and long lasting staining of fixed cells

Minimal auxiliary basis set for time-dependent density functional theory and comparison with tight-binding approximations: Application to silver nanoparticles

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

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

Multiexciton Engineering in Seeded Core/Shell Nanorods: Transfer from Type-I to Quasi-type-II Regimes

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

Nonuniform scaling applied to surface energies of transition metals

Observation and control of coherent torsional dynamics in a quinquethiophene molecule

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

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.

Optical properties of tetrapod-shaped CdTe nanocrystals

Optical spectra of solids obtained by time-dependent density functional theory with the jellium-with-gap-model exchange-correlation kernel

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

Orbital-free methods for plasmonics: Linear response

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

Plasmon Couplings from Subsystem Time-Dependent Density Functional Theory

Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection.

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

Semilocal dynamical correlation with increased localization

Shaping white light through electroluminescent fully organic coupled microcavities

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

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

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

Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study

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

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

Theoretical study on oligothiophene N-succinimidyl esters: size and push-pull effects.

Torsional effects on excitation energies of thiophene derivatives induced by beta-substituents: comparison between time-dependent density functional theory and approximated coupled cluster approaches

Toward Quantum-dot Cellular Automata units: thiolated-carbazole linked bisferrocenes.

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

Ultrafast Electron−Hole Dynamics in Core/Shell CdSe/CdS Dot/Rod Nanocrystals