Publications by authors named "Matteo Ferrabone"

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Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface.
Alessandro Erba, Jefferson Maul, Matteo Ferrabone, Philippe Carbonnière, Michel Rérat

J Chem Theory Comput· June 2019

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Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI Methods.
Alessandro Erba, Jefferson Maul, Matteo Ferrabone, Roberto Dovesi, Michel Rérat

J Chem Theory Comput· June 2019

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Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids.
Philippe D'Arco, Sami Mustapha, Matteo Ferrabone, Yves Noël, Marco De La Pierre

J Phys Condens Matter· September 2013

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The electronic structure of MgO nanotubes. An ab initio quantum mechanical investigation.
Khaled E El-Kelany, Matteo Ferrabone, Michel Rérat, Philippe Carbonnière, Claudio M Zicovich-Wilson

Phys Chem Chem Phys· August 2013

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On the use of symmetry in configurational analysis for the simulation of disordered solids.
Sami Mustapha, Philippe D'Arco, Marco De La Pierre, Yves Noël, Matteo Ferrabone

J Phys Condens Matter· March 2013

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Accurate dynamical structure factors from ab initio lattice dynamics: the case of crystalline silicon.
Alessandro Erba, Matteo Ferrabone, Roberto Orlando, Roberto Dovesi

J Comput Chem· February 2013

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A new massively parallel version of CRYSTAL for large systems on high performance computing architectures.
Roberto Orlando, Massimo Delle Piane, Ian J Bush, Piero Ugliengo, Matteo Ferrabone

J Comput Chem· October 2012

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Static and dynamic coupled perturbed Hartree-Fock vibrational (hyper)polarizabilities of polyacetylene calculated by the finite field nuclear relaxation method.
Valentina Lacivita, Michel Rérat, Bernard Kirtman, Roberto Orlando, Matteo Ferrabone

J Chem Phys· July 2012

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Nuclear motion effects on the density matrix of crystals: an ab initio Monte Carlo harmonic approach.
Cesare Pisani, Alessandro Erba, Matteo Ferrabone, Roberto Dovesi

J Chem Phys· July 2012

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The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme.
Roberto Orlando, Radovan Bast, Kenneth Ruud, Ulf Ekström, Matteo Ferrabone

J Phys Chem A· November 2011

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Ab initio modeling of TiO2 nanotubes.
Dénes Szieberth, Anna Maria Ferrari, Yves Noel, Matteo Ferrabone

Nanoscale· January 2010

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