papers
Publications (11)
cond-mat.mtrl-sci2009
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini +30
cond-mat.mtrl-sci1998
First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
S. Scandolo, F. Ancilotto, G. L. Chiarotti +3
cond-mat.str-el2000
Spectroscopic fingerprints of a surface Mott-Hubbard insulator: the case of SiC(0001)
G. Santoro, S. Scandolo, E. Tosatti
cond-mat.mtrl-sci2002
Disproportionation Phenomena on Free and Strained Sn/Ge(111) and Sn/Si(111) Surfaces
G. Ballabio, G. Profeta, S. de Gironcoli +3
cond-mat.str-el1999
SiC(0001): a surface Mott-Hubbard insulator
V. I. Anisimov, A. E. Bedin, M. A. Korotin +3
cond-mat.mtrl-sci2005
Exciton self-trapping in bulk polyethylene
D. Ceresoli, M. C. Righi, E. Tosatti +3
cond-mat1999
The mechanism for the 3 x 3 distortion of Sn/ge (111)
S. de Gironcoli, S. Scandolo, G. Ballabio +2
cond-mat.str-el2014
Collective spin 1 singlet phase in high pressure oxygen
Y. Crespo, M. Fabrizio, S. Scandolo +1
cond-mat.mtrl-sci2010
A polarizable interatomic force field for TiO$_2$ parameterized using density functional theory
X. J. Han, L. Bergqvist, P. H. Dederichs +4
cond-mat.str-el1998
Metallic charge density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling
G. Santoro, S. Sorella, F. Becca +2
cond-mat1995
Atomic and electronic structure of ideal and reconstructed $α$-Sn (111) surface
Zhong-Yi Lu, Guido L. Chiarotti, S. Scandolo +1