112 citations · 360 across the 7 of their papers we have counts for
7 papers
Many-Electron Trial Wave Functions for Inhomogeneous Solids
R. Gaudoin, M. Nekovee, W. M. C. Foulkes +2
Quantum Monte Carlo simulations of interacting electrons in solids often use Slater-Jastrow trial wave functions with Jastrow factors containing one- and two-body terms. In uniform…
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…
Carbon clusters near the crossover to fullerene stability
P. R. C. Kent, M. D. Towler, R. J. Needs +1
The thermodynamic stability of structural isomers of , , and , including fullerenes, is studied using density f…
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…
A Quantum Monte Carlo Approach to the Adiabatic Connection Method
Maziar Nekovee, W. M. C. Foulkes, A. J. Williamson +2
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculati…
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…