List of works - Ciro Achille Guido

An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence

scientific article published on 28 October 2016

An open quantum system theory for polarizable continuum models

scientific article published on 01 May 2020

Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution

scientific article published on 5 April 2013

Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study.

scientific article published on 23 September 2016

Communication: one third: a new recipe for the PBE0 paradigm

scientific article published on 01 January 2013

Control of Coherences and Optical Responses of Pigment–Protein Complexes by Plasmonic Nanoantennae

article

Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria

scientific article published on 19 November 2018

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

scientific article published on 13 February 2018

EXAT: EXcitonic analysis tool.

scientific article published on 19 November 2017

Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

scientific article published on 01 March 2014

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

scientific article published on 6 November 2015

Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values

scientific article published on 31 January 2018

Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation

scientific article published in May 2017

Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons

scientific article published on 01 March 2021

First-principles investigation of the double ESIPT process in a thiophene-based dye

scientific article published on 01 January 2019

Hybrid theoretical models for molecular nanoplasmonics

scientific article published on 01 November 2020

Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: a stochastic quantum approach

scientific article published on 13 July 2020

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

scientific article published on 12 September 2017

Negative solvatochromism of push–pull biphenyl compounds: a theoretical study

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

scientific article published on 18 June 2013

On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic molecules

scientific article published on 2 December 2010

Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory

scientific article

Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles

Practical computation of electronic excitation in solution: vertical excitation model

article

Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models

scientific article published on 05 July 2021

Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory

article

The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.

scientific article

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2.

scientific article published on 26 December 2012

List of works by Ciro Achille Guido

An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence

An open quantum system theory for polarizable continuum models

Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution

Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study.

Communication: one third: a new recipe for the PBE0 paradigm

Control of Coherences and Optical Responses of Pigment–Protein Complexes by Plasmonic Nanoantennae

Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

EXAT: EXcitonic analysis tool.

Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values

Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation

Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons

First-principles investigation of the double ESIPT process in a thiophene-based dye

Hybrid theoretical models for molecular nanoplasmonics

Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: a stochastic quantum approach

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

Negative solvatochromism of push–pull biphenyl compounds: a theoretical study

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic molecules

Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory

Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles

Practical computation of electronic excitation in solution: vertical excitation model

Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models

Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory

The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2.

The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes