Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates

The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of the restricted active space self-consistent field method. The proposed approach allows to substantially decrease the requirements on comp...

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Detalles Bibliográficos
Autores principales: Preuße, Marie, Bokarev, Sergey I., Aziz, Saadullah G., Kühn, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Crystallographic Association 2016
Materias:
SPECIAL TOPIC: SOFT X-RAY IN ENERGY AND TIME
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5010561/
https://www.ncbi.nlm.nih.gov/pubmed/27679809
http://dx.doi.org/10.1063/1.4961953

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5010561/
https://www.ncbi.nlm.nih.gov/pubmed/27679809
http://dx.doi.org/10.1063/1.4961953

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