Sfoglia per SSD
Finite-temperature electronic simulations without the Born-Oppenheimer constraint
2012-01-01 Mazzola, Guglielmo; Zen, Andrea; Sorella, Sandro
Finite-temperature Gutzwiller approximation and the phase diagram of a toy model for V2O3
2013-01-01 Sandri, M; Capone, Massimo; Fabrizio, Michele
First order phase transition in non-equilibrium growth process.
1999-10-01
First principle calculations of charge and spin density waves of sqrt{3}-absorbated on semiconductors
1998-01-01 S., Scandolo; F., Ancilotto; G. L., Chiarotti; Santoro, Giuseppe Ernesto; S., Serra; E., Tosatti
First principles molecular dynamics study of liquid and amorphous silicon
1989-11-30
A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands
2011-01-01 Piccinin, S.; Fabris, S.
First principles thermoelasticity of MgSiO3-perovskite: consequences for the inferred properties of the lower mantle
2001-01-01 Karki, B. B.; Wentzcovitch, R. M.; De Gironcoli, S.; Baroni, S.
First-Order Character and Observable Signatures of Topological Quantum Phase Transitions
2015-01-01 Amaricci, Adriano; Budich, J. C.; Capone, Massimo; Trauzettel, B.; Sangiovanni, Giorgio
First-order microcanonical transitions in finite mean-field models
2004-01-01 Antoni, M.; Ruffo, S.; Torcini, A.
First-principles approach for the calculation of optical properties of one-dimensional systems with helical symmetry: The case of carbon nanotubes
2005-01-01 Chang, E.; Bussi, G.; Ruini, A.; Molinari, E.
First-principles calculation of the thermal properties of silver
1999-01-01 Xie, J.; de Gironcoli, S.; Baroni, S.; Scheffler, M.
First-principles characterization of Mg low-index surfaces: Structure, reconstructions, and surface core-level shifts
2019-01-01 Gunde, M.; Martin-Samos, L.; De Gironcoli, S.; Fanetti, M.; Orlov, D.; Valant, M.
First-principles codes for computational crystallography in the Quantum-ESPRESSO package
2005-01-01 Scandolo, S.; Giannozzi, P.; Cavazzoni, C.; de Gironcoli, S.; Pasquarello, A.; Baroni, S.
First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions
1999-01-01 Karki, B. B.; Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions (vol 287, pg 1705, 1999)
2000-01-01 Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
First-principles study of structural and dynamical properties of II-VI semiconductors and their alloys.
1992-04-01
First-principles study of the thermal expansion of Be(10(1)over-bar0)
2002-01-01 Lazzeri, M.; de Gironcoli, S.
First-principles study of vacancy formation and migration energies in tantalum
1999-01-01 Satta, A.; Willaime, F.; de Gironcoli, S.
Fitting Corrections to an RNA Force Field Using Experimental Data
2019-01-01 Cesari, A.; Bottaro, S.; Lindorff-Larsen, K.; Banas, P.; Sponer, J.; Bussi, G.
Flavour-selective localization in interacting lattice fermions
2022-01-01 Tusi, D.; Franchi, L.; Livi, L. F.; Baumann, K.; Benedicto Orenes, D.; Del Re, L.; Barfknecht, R. E.; Zhou, T. -W.; Inguscio, M.; Cappellini, G.; Capone, M.; Catani, J.; Fallani, L.
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