| The calculation of static polarizabilities of 1‐3D periodic compounds. the implementation in the crystal code M Ferrero, M Rérat, R Orlando, R Dovesi Journal of computational chemistry 29 (9), 1450-1459, 2008 | 302 | 2008 |
| Coupled perturbed Hartree-Fock for periodic systems: The role of symmetry and related computational aspects M Ferrero, M Rérat, R Orlando, R Dovesi The Journal of chemical physics 128 (1), 2008 | 242 | 2008 |
| Calculation of first and second static hyperpolarizabilities of one-to three-dimensional periodic compounds. Implementation in the CRYSTAL code. M Ferrero, M Rérat, B Kirtman, R Dovesi The Journal of chemical physics 129 (24), 2008 | 237 | 2008 |
| The CRYSTAL code, 1976–2020 and beyond, a long story R Dovesi, F Pascale, B Civalleri, K Doll, NM Harrison, I Bush, P D’arco, ... The Journal of chemical physics 152 (20), 2020 | 152 | 2020 |
| Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite L Valenzano, Y Noel, R Orlando, CM Zicovich-Wilson, M Ferrero, ... Theoretical Chemistry Accounts 117, 991-1000, 2007 | 137 | 2007 |
| Piezoelectricity of SrTiO: An ab initio description A Erba, KE El-Kelany, M Ferrero, I Baraille, M Rérat Physical Review B 88 (3), 035102, 2013 | 105 | 2013 |
| The vibrational spectrum of α-AlOOH diaspore: An ab initio study with the CRYSTAL code R Demichelis, Y Noel, B Civalleri, C Roetti, M Ferrero, R Dovesi The Journal of Physical Chemistry B 111 (31), 9337-9346, 2007 | 81 | 2007 |
| Coupled perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds M Ferrero, M Rérat, R Orlando, R Dovesi, IJ Bush Journal of Physics: Conference Series 117 (1), 012016, 2008 | 80 | 2008 |
| First-principles optical response of semiconductors and oxide materials L Bernasconi, S Tomić, M Ferrero, M Rérat, R Orlando, R Dovesi, ... Physical Review B 83 (19), 195325, 2011 | 63 | 2011 |
| The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree–Fock and density functional theory results obtained with the … M Ferrero, B Civalleri, M Rérat, R Orlando, R Dovesi The Journal of chemical physics 131 (21), 2009 | 51 | 2009 |
| Experimental and theoretical study of a surface stabilized monolayer phase of nickel oxide on Pd (100) S Agnoli, M Sambi, G Granozzi, J Schoiswohl, S Surnev, FP Netzer, ... The Journal of Physical Chemistry B 109 (36), 17197-17204, 2005 | 47 | 2005 |
| An ab initio periodic study of NiO supported at the Pd (100) surface. Part 2: The nonstoichiometric Ni3O4 phase AM Ferrari, M Ferrero, C Pisani The Journal of Physical Chemistry B 110 (15), 7918-7927, 2006 | 29 | 2006 |
| Calculation of the dielectric constant ϵ and first nonlinear susceptibility χ (2) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree–Fock and … V Lacivita, M Rérat, B Kirtman, M Ferrero, R Orlando, R Dovesi The Journal of chemical physics 131 (20), 2009 | 25 | 2009 |
| Comparison of the polarizability of periodic systems computed by using the length and velocity operators M Rérat, M Ferrero, E Amzallag, I Baraille, R Dovesi Journal of Physics: Conference Series 117 (1), 012023, 2008 | 25 | 2008 |
| Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: Where it is shown how … V Lacivita, M Rèrat, R Orlando, M Ferrero, R Dovesi The Journal of chemical physics 136 (11), 2012 | 24 | 2012 |
| Calculation of the static electronic second hyperpolarizability or χ (3) tensor of three-dimensional periodic compounds with a local basis set R Orlando, M Ferrero, M Rérat, B Kirtman, R Dovesi The Journal of chemical physics 131 (18), 2009 | 21 | 2009 |
| Polarization of one-dimensional periodic systems in a static electric field: Sawtooth potential treatment revisited B Kirtman, M Ferrero, M Rérat, M Springborg The Journal of chemical physics 131 (4), 2009 | 18 | 2009 |
| Ab initio quantum‐mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 Uvarovite garnet L Valenzano, F Pascale, M Ferrero, R Dovesi International Journal of Quantum Chemistry 110 (2), 416-421, 2010 | 17 | 2010 |
| Coupled Perturbed Hartree‐Fock Calculation of the Static Polarizability for Periodic Systems: Implementation in the CRYSTAL Code M Ferrero, M Rérat, R Orlando, R Dovesi AIP Conference Proceedings 963 (2), 1199-1203, 2007 | 14 | 2007 |
| Computation in modern science and engineering M Ferrero, M Rérat, R Orlando, R Dovesi, TE Simos, G Maroulis AIP, Melville, NY B 2, 2007 | 12 | 2007 |
Bartolomeo CivalleriUniversity of Torino - Department of ChemistryVerified email at unito.it
