41 citations · 41 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2012★ 41 cited
Elastic and vibrational properties of alpha and beta-PbO
Pieremanuele Canepa, Piero Ugliengo, Maria Alfredsson
The structure, electronic and dynamic properties of the two layered alpha (litharge) and beta (massicot) phases of PbO have been studied by density functional methods. The role of…
cond-mat.str-el2005
Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO
D. Alfè, M. Alfredsson, J. Brodholt +2
We report diffusion Monte Carlo (DMC) calculations on MgO in the rock-salt and CsCl structures. The calculations are based on Hartree-Fock pseudopotentials, with the single-particl…