2 papers
physics.comp-ph2023
Efficient Quasiparticle Determination beyond the Diagonal Approximation via Random Compression
Annabelle Canestraight, Xiaohe Lei, Khaled Ibrahim +1
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Her…
physics.chem-ph2023
Exceptional spatial variation of charge injection energies on plasmonic surfaces
Xiaohe Lei, Annabelle Canestraight, Vojtech Vlcek
Charge injection into a molecule on a metallic interface is a key step in many photo-activated reactions. The energy barrier for injection is paralleled with the lowest particle an…