307 citations · 620 across the 10 of their papers we have counts for
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Accelerating CCSD(T) on Graphical Processing Units (GPUs)
O. Jonathan Fajen, Joseph E. Kelly, Edward G. Hohenstein +1
Coupled cluster with singles, doubles and perturbative triples (CCSD(T)) often provides ground state correlation energies within "chemical accuracy," but suffers from high computat…
Ultrafast internal conversion and photochromism in gas-phase salicylideneaniline
Myles C. Silfies, Arshad Mehmood, Grzegorz Kowzan +3
Salicylidenaniline (SA) is an archetypal system for excited-state intramolecular proton transfer (ESIPT) in non-planar systems. Multiple channels for relaxation involving both the…
Rank-reduced coupled-cluster III. Tensor hypercontraction of the doubles amplitudes
Edward G. Hohenstein, B. Scott Fales, Robert M. Parrish +1
We develop a quartic-scaling implementation of coupled-cluster singles and doubles based on low-rank tensor hypercontraction (THC) factorizations of both the electron repulsion int…