369 citations · 1.1k across the 9 of their papers we have counts for
9 papers
All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
A. Ma, N. D. Drummond, M. D. Towler +1
We report all-electron variational and diffusion quantum Monte Carlo (VMC and DMC) calculations for the noble gas atoms He, Ne, Ar, Kr, and Xe. The calculations were performed usin…
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
P. Lopez-Rios, A. Ma, N. D. Drummond +2
An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion…
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…
Jastrow correlation factor for atoms, molecules, and solids
N. D. Drummond, M. D. Towler, R. J. Needs
A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, includin…
Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals
N. D. Drummond, Z. Radnai, J. R. Trail +2
We report diffusion quantum Monte Carlo calculations of three-dimensional Wigner crystals in the density range r_s=100-150. We have tested different types of orbital for use in the…
Exciton and biexciton energies in bilayer systems
M. Y. J. Tan, N. D. Drummond, R. J. Needs
We report calculations of the energies of excitons and biexcitons in ideal two-dimensional bilayer systems within the effective-mass approximation with isotropic electron and hole…