present - Theory Department of the FHI
present - Theory Department of the FHI
present - Theory Department of the FHI
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Outline<br />
‣ <strong>FHI</strong>-aims: Some (very) few basics<br />
‣ Significant new developments:<br />
Periodic Hartree-Fock and hybrid functionals<br />
Unit cell relaxation & analytical stress tensor<br />
Many-body perturbation <strong>the</strong>ory: scGW and rPT2<br />
“Quantum nuclei”<br />
... many o<strong>the</strong>rs! (transport, visualization, ...)<br />
‣ and how far can we push? Large-scale surface reconstruction<br />
‣ “What would be good to have” (future?)
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