112 citations · 360 across the 7 of their papers we have counts for
4 papers · 1 filter
Comment on "Quantum Monte Carlo study of the dipole moment of CO" [J. Chem. Phys. 110, 11700 (1999)]
K. C. Huang, R. J. Needs, G. Rajagopal
Recently Schautz and Flad concluded that the Hellmann-Feynman theorem holds within the fixed-node diffusion quantum Monte Carlo (DMC) method. We show that the Hellmann-Feynman expr…
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…