Photochemistry is a fascinating branch of chemistry that is concerned with molecules and
light. However, the importance of simulating light‐induced processes is reflected also in …

The invention of the laser in 1960 gave us the ruby laser, which generally produced chaotic
pulses of light. Six years later, in 1966, a concept called passive mode-locking applied to …

The ab initio density matrix renormalization group (DMRG) method has been well-
established and has become one of the most accurate numerical methods for the precise …

Carotenoids are natural pigments with multiple roles in photosynthesis. They act as
accessory pigments by absorbing light where chlorophyll absorption is low, and they quench …

We analyze correlated-triplet-pair (TT) singlet-fission intermediates toward two-triplet
separation (T... T) using spin-state-averaged density matrix renormalization group electronic …

Singlet fission (SF) is the process of formation of multiple excitons (triplet) from a locally
excited singlet state. The mechanism of SF in polyacenes has been shown to proceed via a …

Internal conversion from the photoexcited state to a correlated singlet triplet-pair state is
believed to be the precursor of singlet fission in carotenoids. We present numerical …

Carotenoids are a class of natural pigments that play a fundamental role in photosynthesis
and optoelectronics. However, the complexity of their energy level structure and electronic …

We describe our simulations of the excited state dynamics of the carotenoid neurosporene,
following its photoexcitation into the “bright”(nominally 11Bu+) state. To account for the …

A theory of singlet fission (SF) in carotenoid dimers is applied to explain the SF in lycopene
H-aggregates observed after high-energy photoexcitation. The explanation proposed here is …