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Conjugated polymers offer potential for many diverse applications but we still lack a fundamental microscopic understanding of their electronic structure. Elementary photoexcitations - excitons - span only a few nanometres of a molecule,…

We develop a theory of the electronic structure and photophysics of interacting chains of $\pi$-conjugated polymers to understand the differences between solutions and films. While photoexcitation generates only the exciton in solutions,…

强关联电子 · 物理学 2007-12-10 Zhendong Wang , Sumit Mazumdar , Alok Shukla

We develop a theory of the electronic structure and photophysics of interacting chains of \pi- conjugated polymers to understand the differences between solutions and films. While photoexcitation generates only the intrachain exciton in…

材料科学 · 物理学 2009-11-13 Zhendong Wang , Sumit Mazumdar , Alok Shukla

Photosynthesis relies on efficient energy relaxation within the excited-state manifold of pigment-protein complexes. Since the protein scaffold is rather flexible, the resulting energetic and structural disorder gives rise to a complex…

Excitons are two-particle correlated bound states that are formed due to Coulomb interaction between single-particle holes and electrons. In the solid-state, cooperative interactions with surrounding quasiparticles can strongly tailor the…

The photophysics of $\pi$-conjugated polymers has been of considerable interest over the last three decades because of their organic semiconductor properties. Primary photoexcitations, Frenkel excitons, can be probed optically by means of…

Pi-conjugated segments - chromophores - constitute the electronically active units of polymer materials used in organic electronics. To elucidate the effect of bending of these linear moieties on elementary electronic properties such as…

We employ five {\pi}-conjugated model materials of different molecular shape --- oligomers and cyclic structures --- to investigate the extent of exciton self-trapping and torsional motion of the molecular framework following optical…

Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…

A theory of optical excitations by using a tight binding model with long-range Coulomb interactions is developed. The model is applied to a C60 molecule and a cluster, and is treated by the Hartree-Fock approximation followed by a…

凝聚态物理 · 物理学 2008-02-03 Kikuo Harigaya , Shuji Abe

The interactions between the excited states of a single chromophore with static and dynamic electric fields confined to a plasmonic cavity of picometer dimensions are investigated in a joint experimental and theoretical effort. In this…

Low-dimensional boundaries between phases and domains in organic thin films are important in charge transport and recombination. Here, fluctuations of interfacial boundaries in an organic thin film, acridine-9-carboxylic acid (ACA) on…

This paper investigates the dynamics of excitonic transport in photocomplex LHCII, the primary component of the photosynthetic apparatus in green plants. The dynamics exhibits a strong interplay between coherent processes mediated by the…

量子物理 · 物理学 2011-06-13 Paolo Giorda , Silvano Garnerone , Paolo Zanardi , Seth Lloyd

Coupled systems in mesoscopic regime are of interest as charge fluctuation between the sub-systems will depend on electron-electron interactions and will play a dominant role in determining their thermodynamic properties. We study some…

介观与纳米尺度物理 · 物理学 2009-09-29 P. Singha Deo , P. Koskinen , M. Manninen

We investigate the effect of exciton coupling on the optical absorption spectrum of polymer molecules under conditions of strong inhomogeneous broadening. We demonstrate that the dependence of the maximum in the rescaled absorption spectrum…

化学物理 · 物理学 2009-11-13 A. L. Burin , J. A. Dickman , D. B. Uskov , C. F. F. Hebbard , G. C. Schatz

The optoelectronic properties of amorphous conjugated polymers are sensitive to conformational disorder and spectroscopy provides the means for structural characterization of the fragments of the chain which interact with light -…

化学物理 · 物理学 2017-02-01 Lena Simine , Peter J. Rossky

The concept of modifying molecular dynamics in strongly coupled exciton-polariton systems is an emerging topic in photonics due to its potential to produce customized chemical systems with tailored photophysical properties. However, before…

材料科学 · 物理学 2020-10-09 Bin Liu , Vinod M. Menon , Matthew Y. Sfeir

This is a review of exciton dynamics in conjugated polymers. Exciton dynamics encompass multiple time and length scales. Ultrafast femtosecond processes are intrachain and involve a quantum mechanical correlation of the exciton and nuclear…

化学物理 · 物理学 2021-02-15 William Barford

A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…

化学物理 · 物理学 2019-05-24 Yuhong Liu , Anthony D. Dutoi

The population-averaged contact maps generated by the chromosome conformation capture technique provide important information about the average frequency of contact between pairs of chromatin loci as a function of the genetic distance…

统计力学 · 物理学 2024-04-09 Dmitry Starkov , Sergey Belan
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