24 citations · 61 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2017★ 15 cited
Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo
T. McDaniel, E. F. D'Azevedo, Y. W. Li +2
Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction…
cond-mat.mtrl-sci2017★ 24 cited
Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo
Jaron T. Krogel, Paul R. C. Kent
Growth in computational resources has lead to the application of real space diffusion quantum Monte Carlo (DMC) to increasingly heavy elements. Although generally assumed to be sma…
cond-mat.mtrl-sci2009★ 22 cited
A Fast and Efficient Algorithm for Slater Determinant Updates in Quantum Monte Carlo Simulations
Phani K. V. V. Nukala, P. R. C. Kent
We present an efficient low-rank updating algorithm for updating the trial wavefunctions used in Quantum Monte Carlo (QMC) simulations. The algorithm is based on low-rank updating…