Sfoglia per Autore
alpha beta phase transition in tin: A theoretical study based on density-functional perturbation theory
1998-01-01 Pavone, P.; Baroni, S.; De Gironcoli, S.
The reconstruction of nickel and rhodium (001) surfaces upon carbon, nitrogen or oxygen adsorptions
1999-01-01 Alfè, D.; de Gironcoli, S.; Baroni, S.
Atomic structure and vibrational properties of icosahedral B4C boron carbide
1999-01-01 Lazzari, R.; Vast, N.; Besson, J. M.; Baroni, S.; Dal Corso, A.
Temperature-dependent surface relaxations of Ag(111)
1999-01-01 Xie, J.; de Gironcoli, S.; Baroni, S.; Scheffler, M.
High-pressure thermal expansion, bulk modulus, and phonon structure of diamond
1999-01-01 Xie, J.; Chen, S. P.; Tse, J. S.; de Gironcoli, S.; Baroni, S.
First-principles calculation of the thermal properties of silver
1999-01-01 Xie, J.; de Gironcoli, S.; Baroni, S.; Scheffler, M.
Reptation quantum Monte Carlo: A method for unbiased ground-state averages and imaginary-time correlations
1999-01-01 Baroni, S.; Moroni, 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.
Thermodynamic properties and lattice dynamics of silver at high pressure: a first-principles study
1999-01-01 Xie, J.; Chen, S. P.; de Gironcoli, S.; Baroni, S.
Effects of disorder on the optical gap of (Zn,Mg)(S,Se)
1999-01-01 Saitta, A. M.; de Gironcoli, S.; Baroni, S.
Reptation Quantum Monte Carlo - a round-trip tour from classical diffusion to quantum mechanics
1999-01-01 Baroni, S.; Moroni, 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.
High-pressure lattice dynamics and thermoelasticity of MgO
2000-01-01 Karki, B. B.; Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
Atomic structure and vibrational properties of icosahedral alpha-boron and B4C boron carbide
2000-01-01 Vast, N.; Besson, J. M.; Baroni, S.; Dal Corso, A.
Effects of isotopic disorder on the Raman spectra of crystals: theory and ab initio calculations for diamond and germanium
2000-01-01 Vast, . N; Baroni, S.
Erratum: Atomic structure and vibrational properties of icosahedral B4C boron carbide (vol 83, pg 3230, 1999)
2000-01-01 Lazzari, R.; Vast, N.; Besson, J. M.; Baroni, S.; Dal Corso, A.
Anisotropic thermal expansion in silicates: A density functional study of beta-eucryptite and related materials
2000-01-01 Lichtenstein, A. I.; Jones, R. O.; de Gironcoli, S.; Baroni, S.
Magnons in real materials from density-functional theory
2000-01-01 Gebauer, R.; Baroni, S.
Ab initio lattice dynamics of MgSiO3 perovskite at high pressure
2000-01-01 Karki, B. B.; Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
Noncolinear spin polarization from frustrated antiferromagnetism: A possible scenario for molecular oxygen at high pressure
2000-01-01 Gebauer, R.; Serra, S.; Chiarotti, G. L.; Scandolo, S.; Baroni, S.; Tosatti, E.
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