Cargando…
Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green’s Functions Theory
[Image: see text] A general approach to determine orientation and distance-dependent effective intermolecular exciton transfer integrals from many-body Green’s functions theory is presented. On the basis of the GW approximation and the Bethe–Salpeter equation (BSE), a projection technique is employe...
Autores principales: | Wehner, Jens, Baumeier, Björn |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2017
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5390308/ https://www.ncbi.nlm.nih.gov/pubmed/28234472 http://dx.doi.org/10.1021/acs.jctc.6b00935 |
Ejemplares similares
-
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates
por: Dai, Yasi, et al.
Publicado: (2022) -
Electronic Excitations in Complex Molecular Environments:
Many-Body Green’s Functions Theory in VOTCA-XTP
por: Wehner, Jens, et al.
Publicado: (2018) -
Excited-State Geometry Optimization of Small Molecules
with Many-Body Green’s Functions Theory
por: Çaylak, Onur, et al.
Publicado: (2021) -
Sweet Spot of Intermolecular
Coupling in Crystalline
Rubrene: Intermolecular Separation to Minimize Singlet Fission and
Retain Triplet–Triplet Annihilation
por: Baronas, P., et al.
Publicado: (2022) -
Opposite Anisotropy Effects of Singlet and Triplet Exciton Diffusion in Tetracene Crystal
por: Xie, Xiaoyu, et al.
Publicado: (2016)