290 citations · 290 across the 2 of their papers we have counts for
4 papers
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…
Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations
William D. Parker, C. J. Umrigar, Dario Alfè +2
The computational cost of quantum Monte Carlo (QMC) calculations of realistic periodic systems depends strongly on the method of storing and evaluating the many-particle wave funct…
Accuracy of Quantum Monte Carlo Methods for Point Defects in Solids
William D. Parker, John W. Wilkins, Richard G. Hennig
Quantum Monte Carlo approaches such as the diffusion Monte Carlo (DMC) method are among the most accurate many-body methods for extended systems. Their scaling makes them well suit…
Phase transformation in Si from semiconducting diamond to metallic beta-Sn phase in QMC and DFT under hydrostatic and anisotropic stress
R. G. Hennig, A. Wadehra, K. P. Driver +3
Silicon undergoes a phase transition from the semiconducting diamond phase to the metallic beta-Sn phase under pressure. We use quantum Monte Carlo calculations to predict the tran…