Litcius/Paper detail

Quasiparticle Self-Consistent <i>GW</i>-Bethe–Salpeter Equation Calculations for Large Chromophoric Systems

A. Förster, Lucas Visscher

2022Journal of Chemical Theory and Computation55 citationsDOIOpen Access PDF

Abstract

-BSE calculations only yield states with local characters in the low-energy spectrum of the hexameric complex. Earlier works with RSH kernels have demonstrated that the protein environment facilitates the experimentally observed interchromophoric charge transfer. Therefore, future research will need to combine correlation effects beyond TD-DFT with an explicit treatment of environmental electrostatics.

Topics & Concepts

QuasiparticleBethe–Salpeter equationSelf consistentPhysicsStatistical physicsQuantum electrodynamicsQuantum mechanicsMesonSuperconductivityLiquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chirality