- News: COMICS picnics, 2 post-doc positions,
- Presentation « Efficient GW calculations of quasiparticle energies of molecules, clusters, and solids using a spectral decomposition of the dielectric matrix, by Huy Viet Nguyen
Présents : Michele Amato, Philippe Dollfus, Jérôme Larroque, Rania Lataoui, Huy Viet Nguyen, Mai Chung Nguyen, Van Duy Nguyen, Viet Hung Nguyen, Jongyoon Park, Damien Querlioz, Jérôme Saint Martin, Su Li, Adrien Vincent.
Picnic july 4th
The weather forecast is not optimistic…
Flagship graphene rejected by the EU. But new oppportunity with Labex NanoSaclay, good news, support of Frédéric Nguyen Van Dau, but also to two other projects… Still waiting for the official call next October.
Attractivité → Michele is writing… Waiting for feedback from Daniel Bouchier (?). Ask for a cluster for ab initio simulation, for 22800 €.
ANR ? Projects in preparation for October : grapene, Ge nanowire, maybe also an idea of Hassan Maher+Sylvain Bollaert.
Two post-docs ! Ab initio simulation and device modelling on thermoelectric Ge nanowire, funded by Nanodesign.
Conferences – papers
Final IWCE papers submitted.
Next September = Graphene GDRI in Strasbourg. One abstract already submitted by Hung.
First answer about Truong’s APL. Quite good.
Revised JAP of Trang submitted.
Hung’s APL in progress, see next Comics meeting.
Efficient GW calculations of quasiparticle energies of molecules, clusters, and solids using a spectral decomposition of the dielectric matrix, by Huy Viet Nguyen
Collaboration with T . Anh Pham, Dario Rocca, Giulia Galli in UC Davies. Now all elsewhere… 1st in Livermore. 2Nd as a MCF in Nancy. 3rd in Chicago.
Kohn Sham formulation of DFT for ground state properties. Kohn-Sham levels not addition/removal energies ??? And infamous band gap problem…
Quasi particle energies → Green’s fuction approach, with self-energies, not easy to calculate.
DFT : electron density as a basic variable instead of the standard wave function.
Kohn-Sham : includes exchange and correlation effect.
DM eigenpotentials can be computed without comuting empty stated by using DFPT and iterative diagonalization techniques.
… Application to Si/Si3N4 band offsets determination… Amorphous Si34…
Phi : can the dielectric function be defined as a local parameter ?
No core electrons.