11 citations · 25 across the 12 of their papers we have counts for
6 papers · 1 filter
Nonuniform Screening Reshapes Collective Excitons in Molecular Aggregates from Stochastic Bethe-Salpeter Theory
Barry Y. Li, Chern Chuang, Tim Duong +3
We build and apply an stochastic Bethe-Salpeter Equation (sBSE) approach to planar cyanine dye aggregate clusters containing up to 2,856 valence electrons. Usi…
Efficient Deterministic-Stochastic Representation of the Coulomb Operator in Real Space
Nafiz Faiaz, Tucker Allen, Dimitri Bazile +2
We present an efficient mixed deterministic-stochastic approach for constructing the Coulomb operator in real space that preserves accuracy across the full spectral range. The domi…
Real-Time Approach to the Dynamical Bethe-Salpeter Equation for Finite Systems
Tucker Allen, Barry Y. Li, Daniel Neuhauser
We present a real-time linear-response approach to solving the dynamical Bethe-Salpeter equation (BSE). The polarization part of the screened interaction is obtained from time-depe…
Stochastic GW with the Orthogonalized Projector Augmented Wave Method
Dimitri Bazile, Minh Nguyen, Yuji Kon +2
We introduce stochastic GW with the orthogonalized projector augmented-wave method (OPAW-sGW). This implementation enables accurate quasiparticle band gaps on significantly coarser…
Environment-Induced Exciton Renormalization in the Photosystem II Reaction Center
Tucker Allen, Barry Y. Li, Nadine C. Bradbury +1
Protein electrostatics tune excitation energies in the Photosystem II reaction center (PSII-RC), yet a fully quantum-mechanical many-body description of how the surrounding protein…
StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms
Phillip S. Thomas, Minh Nguyen, Dimitri Bazile +6
is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. utilizes th…