Cargando…
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: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Crystallographic Association
2016
|
| 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 |