32 citations · 79 across the 9 of their papers we have counts for
5 papers · 1 filter
A Visual Understanding of Circular Dichroism Spectroscopy: The Case of Interacting Chromophores
Braden M. Weight, Aaron Forde, Sergei Tretiak
Exciton coupling shapes the photophysical and chiroptical properties of molecular aggregates, but a microscopic, real-space understanding of how intermolecular interactions generat…
Spin-Flip Configuration Interaction for Strong Static Correlation in Quantum Electrodynamics
Braden M. Weight, Zheng Pei, Sergei Tretiak
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as oc…
A Diffusion Quantum Monte Carlo Approach to the Polaritonic Ground State
Braden M. Weight, Sergei Tretiak, Yu Zhang
Making and using polaritonic states (i.e., hybrid electron-photon states) for chemical applications have recently become one of the most prominent and active fields that connects t…
Theory and modeling of light-matter interactions in chemistry: current and future
Braden M. Weight, Xinyang Li, Yu Zhang
Light-matter interaction not only plays an instrumental role in characterizing materials' properties via various spectroscopic techniques but also provides a general strategy to ma…
Ab-initio Symmetric Quasi-Classical Approach to Investigate Molecular Tully Models
Braden M. Weight, Arkajit Mandal, Pengfei Huo
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene…