11 citations · 25 across the 12 of their papers we have counts for
3 papers · 1 filter
No more gap-shifting: Stochastic many-body-theory based TDHF for accurate theory of polymethine cyanine dyes
Nadine C. Bradbury, Barry Y. Li, Tucker Allen +2
We introduce an individually fitted screened-exchange interaction for the time-dependent Hartree-Fock (TDHF) method and show that it resolves the missing binding energies in polyme…
GW with hybrid functionals for large molecular systems
Tucker Allen, Minh Nguyen, Daniel Neuhauser
A low-cost approach for stochastically sampling static exchange during TDHF-type propagation is presented. This enables the use of an excellent hybrid DFT starting point for stocha…
Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid TDDFT Calculations
Mykola Sereda, Tucker Allen, Nadine C. Bradbury +2
We extend our recently developed sparse-stochastic fragmented exchange formalism for ground-state hybrid DFT (ngH-DFT) to calculate absorption spectra within linear-response time-d…