Saue Lab

Research focus

ERC Advanced Grant · 2020

Highly Accurate Molecular Properties using variational Quantum Electrodynamics

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 establish a reliable computational protocol for heavy-element chemistry, the role of quantum electrodynamics (QED) should at least be considered. Studies so far indicate that QED-effects reduce…

From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.