Engineering topics
Weber, John L.
Publications and source records attributed to Weber, John L..
A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo
Not provided.
Chemistry↗
In silico prediction of annihilators for triplet–triplet annihilation upconversion via auxiliary-field quantum Monte Carlo
Electronic structure theories such as AFQMC can accurately predict the low-lying excited state energetics of organic chromophores involved in triplet–triplet annihilation upconversion. A novel class of benzothiadiazole annihilators is discovered.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗