Sfoglia per Autore
ORBITAL FORMULATION FOR ELECTRONIC-STRUCTURE CALCULATIONS WITH LINEAR SYSTEM-SIZE SCALING
1993 Mauri, F; Galli, G; Car, R
WANNIER AND BLOCH ORBITAL COMPUTATION OF THE NONLINEAR SUSCEPTIBILITY
1994 Dalcorso, A; Mauri, F
ACCELERATION SCHEMES FOR AB-INITIO MOLECULAR-DYNAMICS SIMULATIONS AND ELECTRONIC-STRUCTURE CALCULATIONS
1994 Tassone, F; Mauri, F; Car, R
ELECTRONIC-STRUCTURE CALCULATIONS AND MOLECULAR-DYNAMICS SIMULATIONS WITH LINEAR SYSTEM-SIZE SCALING
1994 Mauri, F; Galli, G
LARGE-SCALE QUANTUM SIMULATIONS - C-60 IMPACTS ON A SEMICONDUCTING SURFACE
1994 Galli, G; Mauri, F
TOTAL-ENERGY GLOBAL OPTIMIZATIONS USING NONORTHOGONAL LOCALIZED ORBITALS
1995 Kim, Jn; Mauri, F; Galli, G
FIRST-PRINCIPLES STUDY OF EXCITONIC SELF-TRAPPING IN DIAMOND
1995 Mauri, F; Car, R
Ab initio theory of NMR chemical shifts in solids and liquids
1996 Mauri, F; Pfrommer, Bg; Louie, Sg
Density-functional theory of the nonlinear optical susceptibility: Application to cubic semiconductors
1996 Dalcorso, A; Mauri, F; Rubio, A
Phonon softening and superconductivity in tellurium under pressure
1996 Mauri, F; Zakharov, O; de Gironcoli, S; Louie, Sg; Cohen, Ml
Two-dimensional self-assembly of supramolecular clusters and chains
1999 Bohringer, M; Morgenstern, K; Schneider, Wd; Berndt, R; Mauri, F; De Vita, A; Car, R
All-electron magnetic response with pseudopotentials: NMR chemical shifts
2001 Pickard, Cj; Mauri, F
First principles study of water adsorption on the (100) surface of zircon: Implications for zircon dissolution
2001 Balan, E; Mauri, F; Muller, Jp; Calas, G
Theory of resonant Raman scattering of tetrahedral amorphous carbon
2001 Profeta, M; Mauri, F
Atomic structure of icosahedral B4C boron carbide from a first principles analysis of NMR spectra
2001 Mauri, F; Vast, N; Pickard, Cj
First-principles modeling of the infrared spectrum of kaolinite
2001 Balan, E; Saitta, Am; Mauri, F; Calas, G
Crystallographic distortion around chromium and iron in rubies and sapphires
2001 Sainctavit, P; Kiratisin, A; Brouder, C; Mauri, F; Rogalev, A; Goulon, J
X-ray absorption near-edge structure calculations with the pseudopotentials: Application to the K edge in diamond and alpha-quartz
2002 Taillefumier, M; Cabaret, D; Flank, Am; Mauri, F
Accurate first principles prediction of O-17 NMR parameters in SiO2: Assignment of the zeolite ferrierite spectrum
2003 Profeta, M; Mauri, F; Pickard, Cj
First-principles calculation of vibrational Raman spectra in large systems: Signature of small rings in crystalline SiO2
2003 Lazzeri, M; Mauri, F
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile