List of works - Franco Egidi

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

scientific article published on 14 December 2014

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution

scientific article published on 01 February 2019

A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects.

scientific article published on January 2014

Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: the case of phenyl radical

scientific article published on June 2013

Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects

scientific article published on 15 October 2020

Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.

scientific article

Development of a virtual spectrometer for chiroptical spectroscopies: the case of nicotine

scientific article published on 16 July 2013

Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures

scientific article published on 7 July 2016

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route.

scientific article published on 28 April 2017

General strategy for computing nonlinear optical properties of large neutral and cationic organic chromophores in solution

scientific article published on 4 February 2015

Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool

scientific article published on 18 November 2014

Molecular spectroscopy of aqueous solutions: a theoretical perspective

scientific article published on 03 August 2020

Multilevel Density Functional Theory

scientific article published on 15 January 2021

Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems.

scientific article

Real time propagation of the exact two component time-dependent density functional theory

scientific article published on September 2016

Relativistic Two-Component Particle-Particle Tamm-Dancoff Approximation.

scientific article published on 26 September 2016

Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol

scientific article published in June 2014

The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story?

scientific article published on 7 March 2013

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

scientific article published on 01 December 2015

The electronic circular dichroism of nicotine in aqueous solution: a test case for continuum and mixed explicit-continuum solvation approaches

scientific article published on 23 January 2015

Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems

scientific article published on 12 October 2020

Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model

scientific article published on 27 January 2012

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations

scientific article published on 8 May 2017

List of works by Franco Egidi