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1ST-PRINCIPLES CALCULATION OF THE VIBRATIONAL PROPERTIES OF GAXAL1-XAS ALLOYS
1990-01-01 Baroni, S; DE GIRONCOLI, S; Giannozzi, P
The (1x1)-> hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission
2007-01-01 Baraldi, A.; Vesselli, E.; Bianchettin, L.; Comelli, G.; Lizzit, S.; Petaccia, L.; de Gironcoli, Stefano Maria; Locatelli, A.; Mentes, T. O.; Aballe, L.; Weissenrieder, J.; Andersen, J. N.
2d N=2 Landau-Ginzburg Models
1990-10-26
Ab initio ballistic conductance with spin-orbit coupling: Application to monoatomic wires
2006-01-01 Dal Corso, Andrea; Smogunov, A; Tosatti, Erio
Ab initio calculation of phonon dispersions in semiconductors
1991-01-01 Giannozzi, P.; De Gironcoli, S.; Pavone, P.; Baroni, S.
Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions
1993-01-01 Tit, N.; Peressi, M.; Baroni, S.
Ab initio calculation of the low-frequency Raman cross section in silicon
1986-01-01 Baroni, S.; Resta, R.
Ab initio calculation of the macroscopic dielectric constant in silicon
1986-01-01 Baroni, S.; Resta, R.
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA
2002-01-01 Narasimhan, S.; de Gironcoli, S.
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
2012-01-01 Ferretti, A.; Mallia, G.; Martin-Samos, L.; Bussi, G.; Ruini, A.; Montanari, B.; Harrison, N. M.
Ab initio lattice dynamics of diamond
1993-01-01 Pavone, P.; Karch, K.; Schütt, O.; Strauch, D.; Windl, W.; Giannozzi, P.; 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.
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
2015-01-01 Zen, Andrea; Luo, Ye; Mazzola, Guglielmo; Guidoni, Leonardo; Sorella, Sandro
Ab initio molecular dynamics with quantum Monte Carlo
2015-01-01 Luo, Ye; Sorella, Sandro
Ab initio phonon calculations in solids
1996-01-01 Pavone, P.; Bauer, R.; Karch, K.; Schutt, O.; Vent, S.; Windl, W.; Strauch, D.; Baroni, S.; De Gironcoli, S.
Ab initio phonon dispersions of Fe and Ni
2000-01-01 Dal Corso, Andrea; de Gironcoli, Stefano Maria
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism
2014-01-01 Nguyen, N. L.; Colonna, Nicola; de 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)
2008-01-01 Stojic, N.; Dal Corso, A.; Zhou, B.; Baroni, S.
Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces
2006-01-01 Duan, X.; Peressi, M.; Baroni, S.
Ab initio studies of targets for pharmaceutical intervention
2001-10-25 Sulpizi, Marialore
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