Car, Roberto | Archive ouverte UNIGE

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Title	Published in	Year	Views	Downloads

Structural and electronic properties of small copper clusters: a first principles study	Chemical Physics Letters	1995	392	0
Si 2p Core-Level Shifts at the Si(001)-SiO₂ Interface: a First-Principles Study	Physical Review Letters	1995	333	460
Model of vitreous SiO₂ generated by an ab initio molecular-dynamics quench from the melt	Physical Review. B, Condensed Matter	1995	381	0
Ab Initio Molecular Dynamics Study of First-Order Phase Transitions: Melting of Silicon	Physical Review Letters	1995	343	0
Structural and Electronic Properties of Liquid and Amorphous SiO₂: An Ab Initio Molecular Dynamics Study	Physical Review Letters	1995	419	0
First-Principles Study of Microscopic Models of the Si(001)-SiO₂ interface	22nd International Conference on the Physics of Semiconductors, vol. 1	1995	267	0
First-Principles Study of Excitonic Self-Trapping in Diamond	Physical Review Letters	1995	189	215
Positron Trapping at a Negatively Charged as Vacancy in GaAs	Positron Annihilation - ICPA-10	1995	476	0
Thermodynamic properties and phase diagram of silicon from first-principles	22nd International Conference on the Physics of Semiconductors, vol. 3	1995	314	0
Low- and high-temperature phases of a Pb monolayer on Ge(111) from ab initio molecular dynamics	Physical review. B, Condensed matter and materials physics	1994	496	0
Acceleration schemes for ab initio molecular-dynamics simulations and electronic-structure calculations	Physical Review. B, Condensed Matter	1994	365	0
Ab initio study of positron trapping at a vacancy in GaAs	Physical review letters	1994	459	347
"Ab initio" liquid water	Journal of Chemical Physics	1993	458	705
Structures of small water clusters using gradient-corrected density functional theory	Chemical Physics Letters	1993	433	0
ß phase of Pb on Ge(111) : the competing roles of electronic bonding and thermal fluctuations	Physical review letters	1993	512	97
Ab initio Studies on High Pressure Phases of Ice	Physical Review Letters	1992	400	0
Theoretical study of SiH3-defect stability and formation on the H-saturated Si(100)1x1 surface	Physical review. B, Condensed matter and materials physics	1992	612	0
Ab Initio Molecular Dynamics for d-Electron Systems: Liquid Copper at 1500 K	Physical Review Letters	1992	375	388
First-principles molecular dynamics : a tool for microscopic modelling of materials	SPEEDUP: Special features. Vol. 6, no 2	1992	366	88
Ab initio molecular dynamics simulation of liquid NaSn alloy	Journal of Physics. Condensed Matter	1992	381	0
Structure, electronic properties and defects of amorphous gallium arsenide	Physical review. B, Condensed matter and materials physics	1992	661	0
Green's-matrix calculation of total energies of point defects in silicon	Physical Review. B, Condensed Matter	1992	365	0