CORDIS Project
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The HAMP-vQED project develops advanced computational methods for accurately calculating molecular properties, particularly for heavy-element chemistry. It focuses on incorporating quantum electrodynamics effects to improve understanding of electron density in core regions, enhancing the interplay between theoretical p…
Quantum chemical calculations are today in a position where they not only assist, but may also challenge experiment, at least for molecules containing light atoms only.
When heavy atoms are present, achieving the same accuracy becomes more challenging, not only because of relativistic effects, but also because the larger number of electrons and the often complicated electronic structures make the electron correlation problem harder.
When surveying the physics that has to be included in order to…
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
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