We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as implemented in the Vienna ab initio simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DΓA). The latter includes the physics of GW, DMFT and non-local correlations beyond, and allows for calculating (quantum) critical exponents. We present results obtained by the three methods with a focus on the benchmark material SrVO3.© The Author(s) 201
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combi...
ComDMFT is a massively parallel computational package to study the electronic structure of correlate...
Density functional theory (DFT) has grown to become by far the most widely applied method in the mod...
We review recent developments in electronic structure calculations that go beyond state-of-the-art m...
International audienceWe present the first dynamical implementation of the combined GW and dynamical...
One of the great challenges of modern condensed matter theory is to develop reliable and practical m...
Substantial progress has been achieved in the last couple of decades in computing the electronic str...
We give a summary of recent progress in the field of electronic structure calculations for materials...
Abstract The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongl...
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderate...
We have shown the importance and necessity of the inclusion of non-local correlations in the standar...
18 pages, 3 figures, proceedings of the conference on "Coincidence Studies of Surfaces, Thin Films a...
Abstract. While in strongly correlated materials one often focuses on local electronic correlations,...
Contains fulltext : 168537.pdf (publisher's version ) (Open Access
The main focus of this thesis is the detailed investigation of computational methods to tackle stron...
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combi...
ComDMFT is a massively parallel computational package to study the electronic structure of correlate...
Density functional theory (DFT) has grown to become by far the most widely applied method in the mod...
We review recent developments in electronic structure calculations that go beyond state-of-the-art m...
International audienceWe present the first dynamical implementation of the combined GW and dynamical...
One of the great challenges of modern condensed matter theory is to develop reliable and practical m...
Substantial progress has been achieved in the last couple of decades in computing the electronic str...
We give a summary of recent progress in the field of electronic structure calculations for materials...
Abstract The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongl...
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderate...
We have shown the importance and necessity of the inclusion of non-local correlations in the standar...
18 pages, 3 figures, proceedings of the conference on "Coincidence Studies of Surfaces, Thin Films a...
Abstract. While in strongly correlated materials one often focuses on local electronic correlations,...
Contains fulltext : 168537.pdf (publisher's version ) (Open Access
The main focus of this thesis is the detailed investigation of computational methods to tackle stron...
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combi...
ComDMFT is a massively parallel computational package to study the electronic structure of correlate...
Density functional theory (DFT) has grown to become by far the most widely applied method in the mod...