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Computation of Electromagnetic Properties of Molecular Ensembles

We outline a methodology for efficiently computing the electromagnetic response of molecular ensembles. The methodology is based on the link that we establish between quantum‐chemical simulations and the transfer matrix (T‐matrix) approach, a common tool in physics and engineering. We exemplify and...

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Detalles Bibliográficos
Publicado en:Chemphyschem
Main Authors: Fernandez‐Corbaton, Ivan, Beutel, Dominik, Rockstuhl, Carsten, Pausch, Ansgar, Klopper, Wim
Formato: Artigo
Idioma:Inglês
Publicado: John Wiley and Sons Inc. 2020
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7317848/
https://ncbi.nlm.nih.gov/pubmed/32101636
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cphc.202000072
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