137 citations · 671 across the 11 of their papers we have counts for
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Symmetry Constraints and Variational Principles in Diffusion Quantum Monte Carlo Calculations of Excited-State Energies
W. M. C. Foulkes, Randolph Q. Hood, R. J. Needs
Fixed-node diffusion Monte Carlo (DMC) is a stochastic algorithm for finding the lowest energy many-fermion wave function with the same nodal surface as a chosen trial function. It…
Finite size errors in quantum many-body simulations of extended systems
P. R. C. Kent, Randolph Q. Hood, A. J. Williamson +3
Further developments are introduced in the theory of finite size errors in quantum many-body simulations of extended systems using periodic boundary conditions. We show that our re…
Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon
P. R. C. Kent, Randolph Q. Hood, M. D. Towler +2
Quantum Monte Carlo (QMC) techniques are used to calculate the one-body density matrix and excitation energies for the valence electrons of bulk silicon. The one-body density matri…
Diffusion Quantum Monte Carlo Calculations of Excited States of Silicon
A. J. Williamson, Randolph Q. Hood, R. J. Needs +1
The band structure of silicon is calculated at the Gamma, X, and L wave vectors using diffusion quantum Monte Carlo methods. Excited states are formed by promoting an electron from…