269 citations · 1.1k across the 15 of their papers we have counts for
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cond-mat.mtrl-sci2004★ 44 cited
Diamond and -tin structures of Si studied with quantum Monte Carlo calculations
D. Alfè, M. J. Gillan, M. D. Towler +1
We have used diffusion quantum Monte Carlo (DMC) calculations to study the pressure-induced phase transition from the diamond to -tin structure in silicon. The calculations empl…
cond-mat.mtrl-sci2004★ 154 cited
An efficient localized basis set for quantum Monte Carlo calculations on condensed matter
D. Alfè, M. J. Gillan
We present an efficient scheme for representing many-body wavefunctions in quantum Monte Carlo (QMC) calculations. The scheme is based on B-splines (blip functions), which consist…
cond-mat.other2004★ 39 cited
Linear-scaling quantum Monte Carlo with non-orthogonal localized orbitals
D. Alfe`, M. J. Gillan
We have reformulated the quantum Monte Carlo (QMC) technique so that a large part of the calculation scales linearly with the number of atoms. The reformulation is related to a rec…