630 citations · 3.3k across the 41 of their papers we have counts for
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Self-healing diffusion quantum Monte Carlo algorithms: methods for direct reduction of the fermion sign error in electronic structure calculations
Fernando A. Reboredo, Randolph Q. Hood, Paul R. C. Kent
We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. We take advantage of a b…
Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors
P. R. C. Kent, T. Saha-Dasgupta, O. Jepsen +5
Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting tra…
Density-density functionals and effective potentials in many-body electronic structure calculations
F. A. Reboredo, P. R. C. Kent
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting fr…