2 papers
cond-mat.mtrl-sci2025
Resonant states and nuclear dynamics in solid-state systems: the case of silicon-hydrogen bond dissociation
Woncheol Lee, Mark E. Turiansky, Dominic Waldhör +3
Bond breaking in the presence of highly energetic carriers is central to many important phenomena in physics and chemistry, including radiation damage, hot-carrier degradation, act…
cond-mat.str-el2025
Quantum Monte Carlo assessment of embedding for for strongly correlated defects: interplay between mean-field starting point and interactions
Kevin G. Kleiner, Sonali Joshi, Rohan Joshi +5
Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are…