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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Crystallographic Association
2016
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Materias: | |
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 |