Excitonic couplings between molecular crystal pairs by a multistate ...

Excitonic couplings between molecular crystal pairs by a multistate approximation ... In this paper, we present a diabatization scheme to compute ...

In this paper, we present a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs.

Excitonic couplings between molecular crystal pairs by a multistate ...

Request PDF | Excitonic couplings between molecular crystal pairs by a multistate approximation | In this paper, we present a diabatization scheme to ...

Excitonic couplings between molecular crystal pairs by a multistate ...

Excitonic couplings between molecular crystal pairs by a multistate approximation. · 22 Citations · 78 References.

Excitonic couplings between molecular crystal pairs by a multistate ...

Excitonic couplings between molecular crystal pairs by a multistate approximation. Aragó, J. Troisi, A. Journal: Journal of Chemical Physics. ISSN: 0021-9606.

Exciton Transport in Molecular Crystals: The Role of Dynamic Disorder

We have developed a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs. The method ...

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molecular crystal dimers belonging to the 1D stack (Figure 1c) by a multistate ... Excitonic Couplings between Molecular Crystal Pairs by a. Multistate ...

In-plane and out-of-plane excitonic coupling in 2D molecular crystals

Excitons in molecular solids mediate efficient light harvesting in photosynthesis complexes and important organo-electronic applications such as ...

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Aragó, Juan and Troisi, Alessandro (2015) Excitonic couplings between molecular crystal pairs by a multistate approximation. The Journal of Chemical Physics ...

Conjugation-Modulated Excitonic Coupling Brightens Multiple ...

Multiple phosphorescence from a single component is an emergent phenomenon from the radiative decay of excitons from multiple accessible triplet ...

Bright Frenkel Excitons in Molecular Crystals: A Survey - PMC

Excitonic effects are remarkable when the coupling between excitations localized on different molecules are strong. These strong couplings are mainly due to ...

From many-body ab initio to effective excitonic models - arXiv

This method inherits the ability of the Bethe-Salpeter equation to describe Frenkel molecular excitons and intermolecular charge-transfer states ...

Dynamic Disorder Drives Exciton Dynamics in Diketopyrrolopyrrole ...

The computed reorganization energies for the most feasible transport pathway (π–π stacking) for the excitons in UBEQUQ and UBEQOK molecular ...

Dynamics of the Excitonic Coupling in Organic Crystals | Request PDF

Interestingly, the interaction between excitons and molecular vibrations plays an important role in the optical properties of organic semiconductors [14][15] [ ...

Exciton transport in molecular organic semiconductors boosted by ...

a Correlation between the reference total excitonic coupling V (in absolute value), obtained using MS-FED-FCD (Eq. (7) in Supplementary Method 1) ...

Dynamics of the Excitonic Coupling in Organic Crystals

We show that the excitonic coupling in molecular crystals ... from an exciton in a molecular crystal or thin film. This unexpected ...

Excitonic Coupling Modulated by Mechanical Stimuli

Excitonic Couplings between Molecular. Crystal Pairs by a Multistate Approximation. J. Chem. Phys. 2015, 142. (16), 164107. (43) Rohrdanz ...

Exciton–vibrational coupling in the dynamics and spectroscopy of ...

The influence of exciton–vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest ...

A multiconfigurational wavefunction implementation of the Frenkel ...

Dynamics of the Excitonic Coupling in Organic Crystals. Phys. Rev ... Excitonic Couplings between Molecular Crystal Pairs by a Multi- state Approximation.

Analysis of Site Energies and Excitonic Couplings: the Role of ...

2015: Excitonic couplings between molecular crystal pairs by a multistate approximation Journal of Chemical Physics 142(16): 164107 · Tretiak, S.; Middleton ...