most citedRank-reduced coupled-cluster III. Tensor hypercontraction of the doubles amplitudes

53 citations · 53 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2026

Real-Time Emergence of Charge-Transfer-to-Solvent States from Core Excitation

Jiří Suchan, B. Scott Fales, Benjamin G. Levine +2

Charge-transfer-to-solvent (CTTS) excitations provide a chemically central route to generating hydrated electrons and initiating redox chemistry in solution, yet the earliest stage…

physics.chem-ph2021★ 53 cited

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…