present - Theory Department of the FHI
present - Theory Department of the FHI
present - Theory Department of the FHI
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“Beyond LDA / GGA / mGGA / hybrids”<br />
Current DFT may fail with or without warning,<br />
even qualitatively (for structure).<br />
How to go beyond?<br />
Response <strong>the</strong>ory<br />
Hybrid functionals<br />
meta-GGAs<br />
GGAs<br />
LDA<br />
“Perdew’s ladder”<br />
to exact solution<br />
cost,<br />
accuracy<br />
Xinguo<br />
Ren<br />
Fabio<br />
Caruso<br />
• Renormalized second-order<br />
perturbation <strong>the</strong>ory (“rPT2”):<br />
RPA+rSE+SOSEX<br />
Xinguo Ren, Wed. 11:15 h<br />
• Self-consistent GW<br />
Fabio Caruso, Wed. 11:50 h<br />
• Doubly-hybrid functionals<br />
Igor Zhang, Fri. 09:35 h<br />
Igor<br />
Zhang
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