Phosphorescence is a phenomenon of delayed luminescence that corresponds to the
radiative decay of the molecular triplet state. As a general property of molecules …

We present a computational study of the one-photon and excited-state absorption (ESA)
from the two lowest energy excited states of uracil in the gas phase: an nπ* dark state (1n) …

Investigations of the ground and excited states absorption are very important for the
development of advanced optical limiters. Linear response time-dependent density …

Electronic devices based on polymer thin films have experienced a tremendous increase in
their efficiency in the last two decades. One of the critical factors that affects the efficiency of …

Incorporation of o-carborane into the backbone of poly (dihexylfluorene) s drastically affects
emission properties due to an intramolecular charge-transfer state (ICT) that forms between …

We study the excited state absorption (ESA) properties of the four DNA bases (thymine,
cytosine, adenine, and guanine) by different single reference quantum mechanical methods …

The present paper investigates one of the hydrazone derivatives (BTH with a D–π–A
structure) based on density functional theory. With the computation results of ground state …

The excited states of conjugated polymers play a central role in their applications in organic
solar photovoltaics. The delocalized excited states of conjugated polymers are short-lived …

A time-dependent density functional theory study is performed to reveal the excited state
absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic …

In organic bulk heterojunction materials, charge delocalization has been proposed to play a
vital role in the generation of free carriers by effectively reducing the Coulomb attraction via …