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Daniel Borgis: Localization Concepts in Classical DFT | Daniel Borgis: Localization Concepts in Classical DFT | ||
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===Applications=== | ===Applications=== | ||
* Mauro Causa' [10 min] | * Mauro Causa' [10 min] | ||
Version du 27 octobre 2011 à 22:19
In order to better plan the workshop, please add subjects and/or your name below and an rough estimate of the time you will need for your intervention
Presentation of subjects of interest
First, we should tell each other what we are interested in, and what we would like to do
What we can learn from simple models
Simple models can help us understand better the meaning of MPDs
- Benoit Braida (15 min)
- Andreas Savin (0 min)
Probabilities on QTAIM or ELF domains may also be of help
- Angel Martín Pendás (10 min)
Resonance structures
Are extensions of our formulas needed for them? Is there any connection to the weights of VB wave functions?
- Benoit Braida (10 min)
- Andreas Savin (10 min)
Presentation of algorithms and programs
- Benoit Braida (10 min)
- Mauro Causa': Periodic systems (10 min)
- Federica Agostini / Rodolphe Vuilleumier: Level set algorithms for domain optimization
Synchronisation of projects
- Mauro Causa' [5 min ]
Theory
Daniel Borgis: Localization Concepts in Classical DFT
Applications
- Mauro Causa' [10 min]