150 citations · 1.2k across the 28 of their papers we have counts for
5 papers · 1 filter
Many-body quantum chemistry for the electron gas: convergent perturbative theories
James J. Shepherd, Andreas Grüneis
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (Mølle…
Coupled Cluster Channels in the Homogeneous Electron Gas
James J. Shepherd, Thomas. M. Henderson, Gustavo E. Scuseria
We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be remo…
Range Separated Brueckner Coupled Cluster Doubles Theory
James J. Shepherd, Thomas M. Henderson, Gustavo E. Scuseria
We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron ga…
Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
Andreas Grüneis, James J. Shepherd, Ali Alavi +2
We present an investigation into the use of an explicitly correlated plane wave basis for periodic wavefunction expansions at the level of second-order Møller-Plesset perturbation…
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
James D. Farrell, Christabel Lines, James J. Shepherd +3
Clusters of spherical particles with isotropic attraction favour compact structures that maximise the number of energetically optimal nearest-neighbour interactions. In contrast, d…