171 citations · 428 across the 10 of their papers we have counts for
10 papers
Intrinsic point defects in aluminum antimonide
Daniel Åberg, Paul Erhart, Andrew J. Williamson +1
Calculations within density functional theory on the basis of the local density approximation are carried out to study the properties of intrinsic point defects in aluminum antimon…
Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study
N. D. Drummond, A. J. Williamson, R. J. Needs +1
We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of…
Optimized Non-Orthogonal Localized Orbitals for Electronic Structure Calculations: Improved Linear Scaling Quantum Monte Carlo
F. A. Reboredo, A. J. Williamson
We derive an automatic procedure for generating a set of highly localized, non-orthogonal orbitals for linear scaling quantum Monte Carlo calculations. We demonstrate the advantage…
Optical properties of silicon nanoparticles in the presence of water: A first principles theoretical analysis
David Prendergast, Jeffrey C. Grossman, Andrew J. Williamson +2
We investigate the impact of water, a polar solvent, on the optical absorption of prototypical silicon clusters with oxygen passivation. We approach this complex problem by assessi…
The Structure and Stokes Shift of Hydrogenated Silicon Nanoclusters
Lucas Wagner, Aaron Puzder, Andrew Williamson +5
We evaluate the optical gap and Stokes shift of several candidate 1 nm silicon nanocrystal structures using density functional and quantum Monte Carlo (QMC) methods. We find that t…
Addition spectra of quantum dots: The role of dielectric mismatch
Alberto Franceschetti, Andrew Williamson, Alex Zunger
Using atomistic pseudopotential wave functions we calculate the electron and hole charging energies of InAs quantum dots. We find that the charging energies depend strongly on the…