Stefano Baroni - Dissemin

Papers authored by Stefano Baroni

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1999 Dario Alfè, Stefano de Gironcoli, Stefano Baroni

The reconstruction of nickel and rhodium (001) surfaces upon carbon, nitrogen or oxygen adsorptions

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Stefano Baroni

, Saverio Moroni

Reptation Quantum Monte Carlo: A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations

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Sp P. Chen, Stefano de Gironcoli, Stefano Baroni

, Jianjun Xie S P. Chen Stefano De Gironco

Thermodynamic properties and lattice dynamics of silver at high pressure: a first-principles study

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S. Baroni

, S. Moroni, Nightingale, Cj Umrigar

Reptation Quantum Monte Carlo - a round-trip tour from classical diffusion to quantum mechanics

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1998 L. De Maria, S. Baroni

, M. Peressi

Toward a transferable parametrization for carbon in a periodic semi-empirical molecular orbital scheme

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Jianjun Xie, Stefano de Gironcoli, Stefano Baroni

, Matthias Scheffler

First-principles calculation of the thermal properties of silver

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Jianjun Xie, Stefano de Gironcoli, Stefano Baroni

, Matthias Scheffler

Temperature dependent surface relaxations of Ag(111)

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A. M. Saitta, S. de Gironcoli, S. Baroni

Structural and Electronic Properties of a Wide-Gap Quaternary Solid Solution: \(Zn, Mg\) \(S, Se\)

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Pasquale Pavone, Stefano Baroni

, Stefano de Gironcoli

α↔β phase transition in tin: A theoretical study based on density-functional perturbation theory

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Dario Alfe, Stefano de Gironcoli, Stefano Baroni

The reconstruction of Rh(001) upon oxygen adsorption

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1997 Alice Ruini, Raffaele Resta, Stefano Baroni

Effects of interface morphology on Schottky-barrier heights: A case study on Al/GaAs(001)

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Antonino Marco Saitta, Dario Alfè, Stefano de Gironcoli, Stefano Baroni

Phonon Softening and Elastic Instabilities in the Cubic-to-Orthorhombic Structural Transition of CsH

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J. D. Lorentzen, S. Guha, J. Menéndez, P. Giannozzi, S. Baroni

Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C60

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Kurt A. Mäder, Stefano Baroni

Vibrational broadening of x-ray emission spectra: A first-principles study on diamond

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Alice Ruini, Raffaele Resta, Stefano Baroni

Dynamical-charge neutrality at a crystal surface

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N. Vast, S. Baroni

, G. Zerah, J. M. Besson, A. Polian, M. Grimsditch, J. C. Chervin

Lattice Dynamics of Icosahedralα-Boron under Pressure

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Rm Wentzcovitch, Rj Hemley, Wj Nellis, Stefano Baroni

, Py Yu, Paolo Giannozzi

High Pressure Lattice Instabilities and Structural Phase Transformations in Solids from Ab-Initio Lattice Dynamics

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1996 Nathalie Vast, S. Baroni

, G. Zerah, J. M. Besson, A. Polian, M. Grimsditch, J. C. Chervin

Lattice Dynamics of α-Boron from ab-initio Calculation and Raman Scattering under High Pressure

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Dario Alfe, Stefano Baroni

The structure and phase stability of CO adsorbates on Rh(110)

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Claudia Bungaro, Stefano de Gironcoli, Stefano Baroni

Theory of the Anomalous Rayleigh Dispersion at H/W(110) Surfaces

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Papers authored by Stefano Baroni