Singlet fission and triplet-triplet annihilation upconversion are two multiexciton processes
intimately related to the dynamic interaction between one high-lying energy singlet and two …

Approximate solutions to the ab initio electronic structure problem have been a focus of
theoretical and computational chemistry research for much of the past century, with the goal …

An important concern related to the performance of Li-ion batteries is the formation of a solid
electrolyte interphase on the surface of the anode. This film is formed from the …

The accurate ab initio prediction of ionization energies is essential to understanding the
electrochemistry of transition metal complexes in both materials science and biological …

Intermolecular singlet fission (SF) is the conversion of a photogenerated singlet exciton into
two triplet excitons residing on different molecules. SF has the potential to enhance the …

Triplet‐triplet annihilation (TTA) is a spin‐allowed conversion of two triplet states into one
singlet excited state, which provides an efficient route to generate a photon of higher …

Phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) has recently emerged as a
promising method for the production of benchmark-level simulations of medium-to large …

This study evaluates the precision of widely recognized quantum chemical methodologies,
CCSD (T), DLPNO–CCSD (T), and localized ph-AFQMC, for determining the …

Optical upconversion (UC) of low energy photons into high energy photons enables solar
cells to harvest photons with energies below the band gap of the absorber, reducing the …

Triplet–triplet annihilation upconversion (TTA-UC) has made major advances in many
emerging fields in recent years, such as solar light harvesting, photocatalysis, biological …