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Mostrati risultati da 46 a 65 di 5.450
Titolo Data di pubblicazione Autori File
Ab initio calculation of phonon dispersions in semiconductors 1-gen-1991 Giannozzi, P.De Gironcoli, S.Baroni, S. +
Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions 1-gen-1993 Baroni, S. +
Ab initio calculation of the low-frequency Raman cross section in silicon 1-gen-1986 Baroni, S.Resta, R.
Ab initio calculation of the macroscopic dielectric constant in silicon 1-gen-1986 Baroni, S.Resta, R.
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA 1-gen-2002 de Gironcoli, S. +
Ab initio calculations for the beta-tin diamond transition in silicon: Comparing theories with experiments 1-gen-2011 Sorella, SandroDal Corso, Andrea +
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes 1-gen-2012 Bussi, G. +
Ab initio lattice dynamics of diamond 1-gen-1993 Giannozzi, P.Baroni, S. +
Ab initio lattice dynamics of MgSiO3 perovskite at high pressure 1-gen-2000 de Gironcoli, S.Baroni, S. +
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 1-gen-2015 Zen, AndreaLuo, YeMazzola, GuglielmoGuidoni, LeonardoSorella, Sandro
Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties 1-gen-2014 Sorella, Sandro +
Ab initio molecular dynamics with quantum Monte Carlo 1-gen-2015 Luo, YeSorella, Sandro
Ab initio phonon calculations in solids 1-gen-1996 Baroni, S.De Gironcoli, S. +
Ab initio phonon dispersions of Fe and Ni 1-gen-2000 Dal Corso, Andreade Gironcoli, Stefano Maria
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism 1-gen-2014 Colonna, Nicolade Gironcoli, Stefano Maria +
Ab initio simulation of photoemission spectroscopy in solids: Plane-wave pseudopotential approach with applications to normal-emission spectra of Cu(001) and Cu(111) 1-gen-2008 Dal Corso, A.Baroni, S. +
Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces 1-gen-2006 Baroni, S. +
Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes 1-gen-2005 Laio, A. +
Ab initio study of Be (0001) surface thermal expansion 1-gen-1998 de Gironcoli, S. +
Ab initio study of Be (1010) surface dynamical properties 1-gen-2000 de Gironcoli, S. +
Mostrati risultati da 46 a 65 di 5.450
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