In this work, we study singlet fission in tetracene para-dimers, covalently linked by a phenyl
group. In contrast to most previous studies, we account for the full quantum dynamics of the …

The quantum interference in singlet fission (SF) among the multiple pathways from singlet
excited states to correlated triplet pair states is comprehensively investigated. The analytical …

We investigate the electronic and optical properties of twisted bilayer graphene with arbitrary
twist angles θ. Our results are based on a method of evolving in time quantum states in …

Evaluation of the charge transport property of organic semiconductors requires exact
quantum dynamics simulation of large systems. We present a numerically nearly exact …

The optical microcavities and plasmonic arrays have emerged as new ways to manipulate
and control the molecular properties by exploiting radiation–matter coupling. Here, the time …

The quantum dynamic (QD) study of organic lasing (OL) is a challenging issue in organic
optoelectronics. Previously, the phenomenological method has achieved success in …

A time-dependent wavepacket diffusion method is used to investigate the effects of charge
transfer (CT) states, singlet exciton, and multiexciton migrations on singlet fission (SF) …

Charge-transfer states in organic semiconductors play crucial roles in processes such as
singlet fission and exciton dissociation at donor/acceptor interfaces. Recently, a time …

An exact approach to compute physical properties for general multi-electronic-state (MES)
systems in thermal equilibrium is presented. The approach is extended from our recent …