The energetics of oxide surfaces by quantum Monte Carlo - Alfè, D; Gillan, M J (Journal of physics. Condensed matter, 2006)
Keywords: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Exact sciences and technology; Physics; Surface and interface electron states; Surface states, band structure, electron density of states; Digital simulation; Surface electron state; Magnesium oxides; Density functional method; Generalized gradient approximation; Modelling; Quantum Monte Carlo method; Exchange interactions; Local density approximation