2 papers
physics.chem-ph2025
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
Shreya Verma, Abhishek Mitra, Qiaohong Wang +8
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their…
cond-mat.str-el2025
Strongly correlated states of transition metal spin defects: the case of an iron impurity in aluminum nitride
Leon Otis, Yu Jin, Victor Wen-zhe Yu +3
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We con…