3 papers
cond-mat.mes-hall2025
Conical Intersections Shed Light on Hot Carrier Cooling in Quantum Dots
Caitlin V. Hetherington, Nila Mohan T. M., Shanu A. Shameem +2
Experimental observations of vibronic coherences in electronically excited colloidal semiconductor nanocrystals offer a window into the ultrafast dynamics of hot carrier cooling. I…
physics.chem-ph2025
Chemical and Conformational Control of the Spectroscopic Properties of Multi-Layer and Multi-Defect Carbon Dots
Arshad Mehmood, Caitlin V. Hetherington, Zain Zaidi +1
Carbon dots (CDs) are renowned for their bright and tunable photoluminescence (PL), stability, and biocompatibility, yet it remains challenging to link their heterogeneous structur…
physics.chem-ph2025
Accelerating Correlated Wave Function Calculations with Hierarchical Matrix Compression of the Two-Electron Integrals
Hongji Gao, Xiangmin Jiao, Benjamin G. Levine
Leveraging matrix sparsity has proven a fruitful strategy for accelerating quantum chemical calculations. Here we present the hierarchical SOS-MP2 algorithm, which uses hierarchica…