2 papers
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…
cond-mat.str-el2025
Renormalized density matrix downfolding: A rigorous framework in learning emergent models from ab initio many-body calculations
Yueqing Chang, Sonali Joshi, Lucas K. Wagner
We present a generalized framework, renormalized density matrix downfolding (RDMD), to derive systematically improvable, highly accurate, and nonperturbative effective models from…