CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.
Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .
Resultado final
A report on new code capabilities released as part of the next major FHI-aims code release.
Manuscript describing the prediction of core electron binding energies in complex molecules (se abrirá en una nueva ventana)A manuscript describing the prediction of core electron binding energies in complex molecules, including a qualitative and quantitative assessment of the accuracy of the calculated binding energies, that also addresses any specific challenges that may arise in such calculations, e.g. problems in core hole localization, the treatment of systems with unpaired electrons in the ground state, or any issues specific to gas phase ion pairs (present in the vapours of ionic liquids), such as possible spurious charge transfer from the anion to the cation through vacuum when a localized core hole is created on the cation.
A library of numerical basis sets, distributed with FHI-aims, and also uploaded to the NOMAD repository
Dissemination and exploitation plan (se abrirá en una nueva ventana)Plan for the dissemination and exploitation of results, including communication activities.
A website for the BETTERXPS project.
Data management plan submitted at mid-term, and an update towards the end of the project if needed.
Publicaciones
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