Discussion+Topics

**Possible questions to discuss:**
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**Can, should or is it promising to generate functionals from RPA beyond plasmon-pole approximation?**

 * (Stefan **, David, Volker**, **Klaus-Peter,Claudia, Txema_Pitarke, Hardy, Timo)

Combining and evaluating different approaches
QM/MM? (kieron, Volker, John,Marilia, Timo) This group should be able to address the gap issue very well. What gap do hybrid functionals actually calculate, and why does it often agree with experiment? (kieron, Volker,Klaus-Peter, Hardy) ** (kieron, John, Hardy) **
 * What is the correct way to perform calculations at different levels of sophistication in different regions of space, such as
 * How can we unite DFT with other approaches, such as GW, i.e., can we say what approximation we made to the Green's function when we ran an approximate functional?

(kieron, Volker, John, Carsten, Txema_Pitarke,Claudia, Hardy) **
 * How can we improve TDDFT to get non-local effects such as excitons WITHOUT reverse engineering many-body theory?

Calculating transport through junctions with non-local self-energy ?
(Claudia, Stefan, Kieron, Hardy, Timo)

**Materials-related problems**
(kieron, Volker,Klaus-Peter,Marilia) ** (Klaus-Peter, Volker, Kieron, John,Claudia, Hardy, Timo)
 * Oxide surfaces are terribly important. How can we get LDA+U, LDA-SIC, dynamical mean field theory, etc into the realm of DFT?
 * What functional is describing structure and lattice dynamics correctly for metals and insulators, bulk and surfaces, and molecular systems ?**

Definitions & nomenclature
What is ....

Speeding up codes
(Stefan, Claudia)
 * The LAPW method is considered to be the most accurate solution of the Kohn-Sham equations. But can it compete with other methods being slower?**