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Convergence of many-body wavefunction expansions using a plane wave basis: from the homogeneous electron gas to the solid state
Convergence many-body wavefunction expansions plane wave basis homogeneous electron gas solid state
2012/2/29
Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete basis set (CBS) limit in methods utilising plane-wa...
Solid phase epitaxy amorphous silicon re-growth: some insight from empirical molecular dynamics simulation
Nucleation and growth Theory and models of film growth
2011/9/1
The modelling of interface migration and the associated diffusion mechanisms at the nanoscale level is a challenging issue. For many technological applications ranging from nanoelectronic devices to s...
Quantum computational capability of a two-dimensional valence bond solid phase
Quantum computational capability two-dimensional valence bond solid phase
2010/10/20
Quantum phases of naturally-occurring systems exhibit rich nature as manifestation of their
many-body correlations, in contrast to our persistent technological challenge to build at will such correla...