Forschungs- & Entwicklungsinformationsdienst der Gemeinschaft - CORDIS


ABINITIODGA Berichtzusammenfassung

Project ID: 306447
Gefördert unter: FP7-IDEAS-ERC
Land: Austria

Mid-Term Report Summary - ABINITIODGA (Ab initio Dynamical Vertex Approximation)

Some of the most fascinating physical phenomena are experimentally observed in strongly correlated electron systems and, on the theoretical side, only poorly understood hitherto.
In the project we develop, implement and apply a new method for the ab initio calculation of correlated materials in the 21st century. AbinitioDGA includes strong electronic correlations on all time and length scales and is hence a big step beyond the state-of-the-art methods, such as the local density approximation, dynamical mean field theory (DMFT), and the so-called GW approach.

An important aspect of the project is the development of new software codes which will be made available to the community through public licenses and which will be introduced to the community in a hands-on user workshop at the end of the funding period.
In the first half of the project, a worm sampling variant of continuous quantum Monte Carlo simulations for calculating the multi-orbital vertex in full and an improved parquet solver have been completed.

Scientific highlights of the project include, among others, the calculation of the quantum critical exponents of the Hubbard model, identifying SrVO3 heterostructures as a promising candidate for a Mott transistor and the full parquet solution of the dynamical vertex approximation. Besides DGA, also the one-particle irreducible approach and DMFT to functional renormalization group (DMF2RG) are employed.

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