166 citations · 1.1k across the 22 of their papers we have counts for
Showing 2016Show all
2 papers · 1 filter
physics.chem-ph2016★ 90 cited
Low rank factorization of the Coulomb integrals for periodic coupled cluster theory
Felix Hummel, Theodoros Tsatsoulis, Andreas Grüneis
We study the decomposition of the Coulomb integrals of periodic systems into a tensor contraction of six matrices of which only two are distinct. We find that the Coulomb integrals…
cond-mat.str-el2016★ 67 cited
From plane waves to local Gaussians for the simulation of correlated periodic systems
George H. Booth, Theodoros Tsatsoulis, Garnet Kin-Lic Chan +1
We present a simple, robust and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computati…