1.2k citations · 4.7k across the 58 of their papers we have counts for
Showing 2013 · physics.comp-phShow all
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physics.comp-ph2013★ 71 cited
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…
physics.comp-ph2013★ 111 cited
Linear-scaling and parallelizable algorithms for stochastic quantum chemistry
George H. Booth, Simon D. Smart, Ali Alavi
For many decades, quantum chemical method development has been dominated by algorithms which involve increasingly complex series of tensor contractions over one-electron orbital sp…