J
James J. Shepherd
Researcher at University of Iowa
Publications - 63
Citations - 2081
James J. Shepherd is an academic researcher from University of Iowa. The author has contributed to research in topics: Quantum Monte Carlo & Full configuration interaction. The author has an hindex of 24, co-authored 59 publications receiving 1669 citations. Previous affiliations of James J. Shepherd include Massachusetts Institute of Technology & University of Cambridge.
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Full configuration interaction perspective on the homogeneous electron gas
TL;DR: In this paper, the authors obtained a finite-basis energy for the homogeneous electron gas (HEG) with respect to a basis set incompleteness error of 0.5 a.u.
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Speed Limit for Triplet-Exciton Transfer in Solid-State PbS Nanocrystal-Sensitized Photon Upconversion.
Lea Nienhaus,Mengfei Wu,Nadav Geva,James J. Shepherd,Mark W. Wilson,Vladimir Bulovic,Troy Van Voorhis,Marc A. Baldo,Moungi G. Bawendi +8 more
TL;DR: This work studies the transfer of excitons from colloidal lead sulfide nanocrystals to the spin-triplet state of rubrene molecules by reducing the length of the carboxylic acid ligands on the nanocrystal surface, and thinning the effective ligand shell to increase the characteristic transfer rate.
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Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems
TL;DR: In this article, the authors investigated the convergence of the correlation energy to the complete-basis-set (CBS) limit in methods utilizing plane-wave wave-function expansions and proposed several alternatives based on the momentum transfer vector, which greatly improved the rate of convergence.
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Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas
Fionn D. Malone,Nick S. Blunt,Nick S. Blunt,Ethan Brown,Derek K. K. Lee,James S. Spencer,W. M. C. Foulkes,James J. Shepherd,James J. Shepherd +8 more
TL;DR: These calculations confirm the accuracy of the configuration path-integral Monte Carlo results available at high density and bridge the gap to lower densities, providing trustworthy data in the regime typical of planetary interiors and solids subject to laser irradiation.
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Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo
Catherine Overy,George H. Booth,George H. Booth,George H. Booth,Nick S. Blunt,James J. Shepherd,Deidre Cleland,Deidre Cleland,Ali Alavi,Ali Alavi +9 more
TL;DR: In this paper, an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads, is proposed.