BERTINI, LUCA
BERTINI, LUCA
DIPARTIMENTO DI BIOTECNOLOGIE E BIOSCIENZE
Linear expansions of correlated functions: Variational Monte Carlo case study
1999 Bertini, L; Bressanini, D; Mella, M; Morosi, G
Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be-
2001 Bertini, L; Mella, M; Bressanini, D; Morosi, G
Stability of few-body systems and quantum Monte-Carlo methods
2002 Bressanini, D; Morosi, G; Bertini, L; Mella, M
Nanostructured Co1-xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling
2003 Bertini, L; Stiewe, C; Toprak, M; Williams, S; Platzek, D; Mrotzek, A; Zhang, Y; Gatti, C; Muller, E; Muhammed, M; Rowe, M
Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium
2003 Bertini, L; Ghigna, P; Scavini, M; Cargnoni, F
Chemical information from the source function
2003 Gatti, C; Cargnoni, F; Bertini, L
Guest-framework interaction in type I inorganic clathrates with promising thermoelectric properties: On the ionic versus neutral nature of the alkaline-earth metal guest A in A8Ga16Ge30 (A = Sr, Ba)
2003 Gatti, C; Bertini, L; Blake, N; Iversen, B
Theoretical modeling of Te doped CoSb3
2003 Bertini, L; Billquist, K; Christensen, M; Gatti, C; Holmgren, L; Iversen, B; Mueller, E; Muhammed, M; Noriega, G; Palmqvist, A; Platzek, D; Rowe, D; Saramat, A; Stiewe, C; Toprak, M; Williams, S; Zhang, Y
Borromean binding in H2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study
2004 Bertini, L; Mella, M; Bressanini, D; Morosi, G
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems
2004 Bertini, L; Gatti, C
The impact of nanostructuring on the thermal conductivity of thermoelectric CoSb3
2004 Toprak, M; Stiewe, C; Platzek, D; Williams, S; Bertini, L; Muller, E; Gatti, C; Zhang, Y; Rowe, M; Muhammed, M
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions
2004 Gatti, C; Bertini, L
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory
2004 Christensen, M; Iverser, B; Bertini, L; Gatti, C; Toprak, M; Muhammed, M; Nishibori, E
Interstitial Zn atoms do the trick in thermoelectric zinc antimonide, Zn4Sb3: A combined maximum entropy method X-ray electron density and Ab initio electronic structure study
2004 Cargnoni, F; Nishibori, E; Rabiller, P; Bertini, L; Snyder, G; Christensen, M; Gatti, C; Iversen, B
Nanostructured Co 1-xNi x(Sb 1-yTe y) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties
2005 Stiewe, C; Bertini, L; Toprak, M; Christensen, M; Platzek, D; Williams, S; Gatti, C; Muller, E; Iversen, B; Muhammed, M; Rowe, M
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states
2006 Bertini, L; Greco, C; DE GIOIA, L; Fantucci, P
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states
2007 Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science
2007 Bertini, L; Cargnoni, F; Gatti, C
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example
2007 Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Greco, C; Zampella, G
Electronic structure of the Co4Sn6Te6 ternary skutterudite phase
2007 Bertini, L; Cenedese, S