209 citations · 209 across the 1 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2008★ 46 cited
Hydrogen dissociation on the Mg(0001) surface from quantum Monte Carlo calculations
M. Pozzo, D. Alfe`
We have used diffusion Monte Carlo (DMC) simulations to calculate the energy barrier for H dissociation on the Mg(0001) surface. The calculations employ pseudopotentials and sy…
cond-mat.mtrl-sci2008★ 98 cited
Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations
M. Pozzo, D. Alfè
We have used diffusion Monte Carlo (DMC) calculations to study the structural properties of magnesium hydride (MgH), including the pressure-volume equation of state, the cohesi…