245 citations · 1.3k across the 17 of their papers we have counts for
3 papers · 1 filter
Polaritonic Coupled-Cluster Theory
Uliana Mordovina, Callum Bungey, Heiko Appel +3
We develop coupled-cluster theory for systems of electrons strongly coupled to photons, providing a promising theoretical tool in polaritonic chemistry with a perspective of applic…
Structure and efficiency in bacterial photosynthetic light-harvesting
Susannah Bourne Worster, Clement Stross, Felix M. W. C. Vaughan +2
Photosynthetic organisms use networks of chromophores to absorb sunlight and deliver the energy to reaction centres, where charge separation triggers a cascade of chemical steps to…
Analytical Gradients for Projection-Based Wavefunction-in-DFT Embedding
Sebastian J. R. Lee, Feizhi Ding, Frederick R. Manby +1
Projection-based embedding provides a simple, robust, and accurate approach for describing a small part of a chemical system at the level of a correlated wavefunction method while…