3 papers
cond-mat.mtrl-sci2026
Application of the exact-factorization density-functional perturbation approach to pentacene crystal and monolayer MoS2
Rachel Steinitz-Eliyahu, Galit Cohen, Guy Vosco +3
Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust inst…
cond-mat.mtrl-sci2025
Non-adiabaticity from first principles: the exact-factorization approach for solids
Galit Cohen, Rachel Steinitz-Eliyahu, E. K. U. Gross +2
The thorough treatment of electron-lattice interactions from first principles is one of the main goals in condensed matter physics. While the commonly applied adiabatic Born-Oppenh…
cond-mat.mtrl-sci2022
Mixed excitonic nature in water-oxidized BiVO surfaces with defects
Rachel Steinitz-Eliyahu, Daniel Hernangómez-Pérez, Franziska S. Hegner +3
BiVO is a promising photocatalyst for efficient water oxidation, with surface reactivity determined by the structure of active catalytic sites. Surface oxidation in the presenc…