145 citations · 759 across the 11 of their papers we have counts for
11 papers
Structure and metallicity of phase V of hydrogen
Bartomeu Monserrat, Neil D. Drummond, Philip Dalladay-Simpson +5
A new phase V of hydrogen was recently claimed in experiments above 325 GPa and 300 K. Due to the extremely small sample size at such record pressures the measurements were limited…
Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
N. D. Drummond, Bartomeu Monserrat, Jonathan H. Lloyd-Williams +3
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen a…
Trion formation in a two-dimensional hole-doped electron gas
G. G. Spink, P. López Ríos, N. D. Drummond +1
The interaction between a single hole and a two-dimensional, paramagnetic, homogeneous electron gas is studied using diffusion quantum Monte Carlo simulations. Calculations of the…
Electron-Phonon Coupling and the Metalization of Solid Helium at Terapascal Pressures
Bartomeu Monserrat, N. D. Drummond, Chris J. Pickard +1
Solid He is studied in the pressure and temperature ranges 1-40 TPa and 0-10,000 K using first-principles methods. Anharmonic vibrational properties are calculated within a self-co…
Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
G G Spink, R J Needs, N D Drummond
We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three…
Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas
N. D. Drummond, R. J. Needs
Fermi liquid theory is the basic paradigm within which we understand the normal behavior of interacting electron systems, but quantitative values for the parameters that occur in t…
Quantum Monte Carlo, time-dependent density functional theory, and density functional theory calculations of diamondoid excitation energies and Stokes shifts
F. Marsusi, J. Sabbaghzadeh, N. D. Drummond
We have computed the absorption and emission energies and hence Stokes shifts of small diamondoids as a function of size using different theoretical approaches, including density f…
Quantum Monte Carlo calculation of the energy band and quasiparticle effective mass of the two-dimensional Fermi fluid
N. D. Drummond, R. J. Needs
We have used the diffusion quantum Monte Carlo method to calculate the energy band of the two-dimensional homogeneous electron gas (HEG), and hence we have obtained the quasipartic…
Exciton-exciton interaction and biexciton formation in bilayer systems
R. M. Lee, N. D. Drummond, R. J. Needs
We report quantum Monte Carlo calculations of biexciton binding energies in ideal two-dimensional bilayer systems with isotropic electron and hole masses. We have also calculated e…
Scheme for adding electron-nucleus cusps to Gaussian orbitals
A. Ma, M. D. Towler, N. D. Drummond +1
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from Gaussian basis set electronic structure calculations. The scheme is tested with…
A variance-minimization scheme for optimizing Jastrow factors
N. D. Drummond, R. J. Needs
We describe a new scheme for optimizing many-electron trial wave functions by minimizing the unreweighted variance of the energy using stochastic integration and correlated-samplin…