Electron charge dynamics and charge separation: A response theory approach
SciPost Phys. 20, 035 (2026)
Publications
Selected publications since 2022. A complete list is on Google Scholar.
2026
Designing explicit functionals for the charge density in terms of a potential
arXiv:2605.02492
About Carrier's Self-Trapping and Dynamical Rashba Splitting in the 2D Hybrid Perovskite (BA)₂(MA)₂Pb₃I₁₀
Small (2026): e11410
2024
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods
Phys. Rev. B 109, L241111 (2024)
2023
Neutral band gap of carbon by quantum Monte Carlo methods
Condens. Matter Phys. 26, 3 (2023)
Robustness of electronic screening effects in electron spectroscopies: example of V₂O₅
Phys. Rev. B 107, 075101 (2023)
Screening of excitations by the electron cloud is central to spectroscopic properties. We use V₂O₅ as a prototype to show how local distortions affect the screening, and how those changes propagate to EELS and absorption spectra, including excitons.
2022
Delocalization of dark and bright strongly bound excitons in flat-band materials and the optical properties of V₂O₅
npj Comput. Mater. 8, 94 (2022)
Localized charge-transfer excitations can combine to form excitons with very large binding energy *and* large electron-hole distance — a seemingly contradictory finding we resolve in V₂O₅ by combining MBPT, ellipsometry, and tight-binding modelling. The mechanism is general.
