Matteo Ferrabone
Title
Cited by
Cited by
Year
CRYSTAL14: A program for the ab initio investigation of crystalline solids
R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ...
International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014
11872014
On the performance of eleven DFT functionals in the description of the vibrational properties of aluminosilicates
R Demichelis, B Civalleri, M Ferrabone, R Dovesi
International Journal of Quantum Chemistry 110 (2), 406-415, 2010
1092010
, M. Rérat and B. Kirtman
R Dovesi, R Orlando, A Erba, CM Zicovich-Wilson, B Civalleri, S Casassa, ...
Int. J. Quantum Chem 114, 1287-1317, 2014
652014
Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations
AØ Madsen, B Civalleri, M Ferrabone, F Pascale, A Erba
Acta Crystallographica Section A: Foundations of Crystallography 69 (3), 309-321, 2013
532013
Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon
A Erba, M Ferrabone, R Orlando, R Dovesi
Journal of computational chemistry 34 (5), 346-354, 2013
512013
A new massively parallel version of CRYSTAL for large systems on high performance computing architectures
R Orlando, M Delle Piane, IJ Bush, P Ugliengo, M Ferrabone, R Dovesi
Journal of computational chemistry 33 (28), 2276-2284, 2012
452012
The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations
A Erba, M Ferrabone, J Baima, R Orlando, M Rérat, R Dovesi
The Journal of chemical physics 138 (5), 054906, 2013
432013
Ab initio modeling of TiO2 nanotubes
D Szieberth, AM Ferrari, Y Noel, M Ferrabone
Nanoscale 2 (1), 81-89, 2010
422010
Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations
J Baima, M Ferrabone, R Orlando, A Erba, R Dovesi
Physics and Chemistry of Minerals 43 (2), 137-149, 2016
342016
On the use of symmetry in configurational analysis for the simulation of disordered solids
S Mustapha, P D’Arco, M De La Pierre, Y Noël, M Ferrabone, R Dovesi
Journal of Physics: Condensed Matter 25 (10), 105401, 2013
312013
Noë l, Y., Causa, M., Ré rat, M. & Kirtman, B.(2014)
R Dovesi, R Orlando, A Erba, CM Zicovich-Wilson, B Civalleri, S Casassa, ...
Int. J. Quantum Chem 114, 1287-1317, 0
27
The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn–Sham Scheme
R Orlando, R Bast, K Ruud, U Ekström, M Ferrabone, B Kirtman, ...
The Journal of Physical Chemistry A 115 (45), 12631-12637, 2011
262011
Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids
P D’Arco, S Mustapha, M Ferrabone, Y Noël, M De La Pierre, R Dovesi
Journal of Physics: Condensed Matter 25 (35), 355401, 2013
222013
Polarizability and hyperpolarizability of BN zigzag nanotubes calculated by the coupled perturbed Kohn-Sham scheme
M Ferrabone, B Kirtman, M Rérat, R Orlando, R Dovesi
Physical Review B 83 (23), 235421, 2011
222011
The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations
R Demichelis, H Suto, Y Noël, H Sogawa, T Naoi, C Koike, H Chihara, ...
Monthly Notices of the Royal Astronomical Society 420 (1), 147-154, 2012
192012
The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)
L Maschio, M Ferrabone, A Meyer, J Garza, R Dovesi
Chemical Physics Letters 501 (4-6), 612-618, 2011
172011
Vibrational contribution to static and dynamic (Hyper) polarizabilities of zigzag BN nanotubes calculated by the finite field nuclear relaxation method
M Ferrabone, B Kirtman, V Lacivita, M Rérat, R Orlando, R Dovesi
International Journal of Quantum Chemistry 112 (9), 2160-2170, 2012
152012
Theoretical and experimental characterization of pyrazolato-based Ni (II) metal–organic frameworks
E Albanese, B Civalleri, M Ferrabone, F Bonino, S Galli, A Maspero, ...
Journal of Materials Chemistry 22 (42), 22592-22602, 2012
152012
Anharmonic vibrational states of solids from DFT calculations. Part II: Implementation of the VSCF and VCI methods
A Erba, J Maul, M Ferrabone, R Dovesi, M Rérat, P Carbonnière
Journal of chemical theory and computation 15 (6), 3766-3777, 2019
132019
Anharmonic vibrational states of solids from DFT calculations. Part I: Description of the potential energy surface
A Erba, J Maul, M Ferrabone, P Carbonnière, M Rérat, R Dovesi
Journal of chemical theory and computation 15 (6), 3755-3765, 2019
132019
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Articles 1–20