279 citations · 519 across the 12 of their papers we have counts for
12 papers
Ab-initio calculations for the beta-tin diamond transition in Silicon: comparing theories with experiments
Sandro Sorella, Michele Casula, Leonardo Spanu +1
We investigate the pressure-induced metal-insulator transition from diamond to beta-tin in bulk Silicon, using quantum Monte Carlo (QMC) and density functional theory (DFT) approac…
Ab initio investigation of the melting line of nitrogen at high pressure
Davide Donadio, Leonardo Spanu, Ivan Duchemin +2
Understanding the behavior of molecular systems under pressure is a fundamental problem in condensed matter physics. In the case of nitrogen, the determination of the phase diagram…
The nature and strength of inter-layer binding in graphite
Leonardo Spanu, Sandro Sorella, Giulia Galli
We computed the inter-layer bonding properties of graphite using an ab-initio many body theory. We carried out variational and diffusion quantum Monte Carlo calculations and found…
Theoretical investigation of methane under pressure
Leonardo Spanu, Davide Donadio, Detlef Hohl +1
We present computer simulations of liquid and solid phases of condensed methane at pressures below 25 GPa, between 150 and 300 K, where no appreciable molecular dissociation occurs…
The Resonating-Valence-Bond Ground State of Li Nanoclusters
D. Nissenbaum, L. Spanu, C. Attaccalite +2
We have performed Diffusion Quantum Monte Carlo simulations of Li clusters showing that Resonating-Valence-Bond (RVB) pairing correlations between electrons provide a substantial c…
Dissecting the hydrogen bond: a Quantum Monte Carlo approach
Fabio Sterpone, Leonardo Spanu, Luca Ferraro +2
We present a variational MonteCarlo (VMC) and lattice regularized diffusion MonteCarlo (LRDMC) study of the binding energy and dispersion curve of the water dimer. As a variation a…