53 citations · 297 across the 28 of their papers we have counts for
8 papers · 1 filter
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…
Spatial Decay and Limits of Quantum Solute-Solvent Interactions
Guorong Weng, Amanda Pang, Vojtech Vlcek
Molecular excitations in the liquid-phase environment are renormalized by the surrounding solvent molecules. Herein, we employ the GW approximation to investigate the solvation eff…
Embedding vertex corrections in GW self-energy: theory, implementation, and outlook
Guorong Weng, Rushil Mallarapu, Vojtech Vlcek
The vertex function () within the Green's function formalism encapsulates information about all higher-order electron-electron interaction beyond those mediated by density fluct…
Efficient treatment of molecular excitations in the liquid phase environment via stochastic many-body theory
Guorong Weng, Vojtech Vlcek
Accurate predictions of charge excitation energies of molecules in the disordered condensed phase are central to the chemical reactivity, stability, and optoelectronic properties o…
Are multi-quasiparticle interactions important in molecular ionization?
Carlos Mejuto-Zaera, Guorong Weng, Mariya Romanova +4
Photo-emission spectroscopy directly probes individual electronic states, ranging from single excitations to high-energy satellites, which simultaneously represent multiple quasipa…
Stochastic vertex corrections: linear scaling methods for accurate quasiparticle energies
Vojtech Vlcek
New stochastic approaches for the computation of electronic excitations are developed within the many-body perturbation theory. Three approximations to the electronic self-energy a…
Simple eigenvalue-self-consistent
Vojtěch Vlček, Roi Baer, Eran Rabani +1
We derive a general form of eigenvalue self-consistency for in the time domain and use it to obtain a simplified postprocessing eigenvalue self-consistency, which we label…
Stochastic GW calculations for molecules
Vojtech Vlcek, Eran Rabani, Daniel Neuhauser +1
Quasiparticle (QP) excitations are extremely important for understanding and predicting charge transfer and transport in molecules, nanostructures and extended systems. Since densi…