2 papers
cond-mat.mes-hall2026
Ab initio study of saddle-point excitons in monolayer SnS2
Vinicius Alves Bastos, Fulvio Paleari, Eleonora Luppi +2
Monolayer SnS2 has emerged as a promising visible-light photocatalyst for photoelectrochemical applications, owing to its strong optical absorption in the visible range and excelle…
physics.chem-ph2025
Time-dependent ab__initio molecular-orbital decomposition for high-harmonic generation spectroscopy
Marco Marchetta, Chiara Morassut, Julien Toulouse +2
We propose a real-time time-dependent ab__initio approach within a configuration-interaction-singles ansatz to decompose the high-harmonic generation (HHG) signal of molecules in t…