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Mostrati risultati da 1 a 11 di 11
Titolo Data di pubblicazione Autore(i) File
An ab-initio periodic study of NiO supported at the Pd(100) surface: (B) the non stoichiometric Ni3O4 phase 2006 A. FERRARI; M. FERRERO; C. PISANI
Coupled-Perturbed Hartree-Fock calculation of the static polarizability for periodic systems: implementation in the CRYSTAL code 2007 M. Ferrero; M. Rérat; R. Orlando; R. Dovesi
The vibrational spectrum of alpha-AlOOH diaspore: An ab initio study with the CRYSTAL code 2007 DEMICHELIS R; NOEL Y; CIVALLERI B; ROETTI C; FERRERO M; DOVESI R
Coupled Perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds 2008 M. Ferrero; M. Rérat; R. Orlando; R. Dovesi; I. J. Bush
The calculation of static polarizabilities of periodic compounds. The implementation in the CRYSTAL code for 1D, 2D and 3D systems 2008 M. Ferrero; M. Rérat; R. Orlando; R. Dovesi
Comparison of the polarizability of periodic systems computed by using the length and velocity operators 2008 M. Rérat; M. Ferrero; E. Amzallag; I. Baraille; R. Dovesi
Coupled perturbed Hartree-Fock for periodic systems: The role of symmetry and related computational aspects. 2008 M. FERRERO; M. RÉRAT; R. ORLANDO; R. DOVESI
Calculation of the dielectric constant ϵ and first nonlinear susceptibility χ(2) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree–Fock and coupled perturbed Kohn–Sham schemes as implemented in the CRYSTAL code 2009 V. Lacivita; M. Rérat; B. Kirtman; M. Ferrero; R. Orlando; R. Dovesi
Calculation of the static electron second hyperpolarizability or χ(3) tensor of three dymensional periodic compounds with a local basis set 2009 R. Orlando; M. Ferrero; M. Rérat; B. Kirtman; R. Dovesi
Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 uvarovite garnet 2010 L. Valenzano; F. Pascale; M. Ferrero; R. Dovesi
Polarizability and charge density distribution in crystalline urea 2012 Mauro Ferrero;Bartolomeo Civalleri;Michel Rérat
Mostrati risultati da 1 a 11 di 11
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