Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

Density functional theory (DFT) is nowadays one of the most popular methods for ground
state electronic structure calculations in quantum chemistry and solid state physics …

Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …

A comprehensive investigation on the intramolecular charge transfer (ICT) of an efficient π-
conjugated potential push–pull NLO chromophore, 4-[N, N-dimethylamino]-4′-nitro stilbene …

A series of benzothiadiazole oligothiophene and oligo (thienylene vinylene) donor–acceptor
(D–A) copolymers were synthesized and characterized. These low optical band gap …

A novel series of terthiophenes bearing electron-donor and electron-acceptor groups at the
end α-positions has been prepared. The analysis of the UV− vis, infrared, and Raman …

We have synthesized several new push–pull oligothiophenes based on the boron
dipyrromethene (BODIPY) moiety as the electron acceptor and the more well‐known …

A series of push− pull chromophores built around thiophene-based π-conjugating spacers
and bearing various types of amino donors and cyanovinyl acceptors have been analyzed …

Density functional theory calculations together with highly resolved gas-phase ultraviolet
photoelectron spectroscopy have been applied to oligothiophene chains with up to eight …

The transformation of bipolarons into polaron pairs in long oligothiophene dications has
been reported by Raman spectroscopy. These polaron-pair dicationic species possess …