Related papers: Functional Renormalization Group and Kohn-Sham sch…
We employ the functional renormalization group approach formulated on the Schwinger-Keldysh contour to calculate real-time correlation functions in scalar field theories. We provide a detailed description of the formalism, discuss suitable…
We have developed a nonperturbative functional renormalization group approach for random field models and related disordered systems for which, due to the existence of many metastable states, conventional perturbation theory often fails.…
Exact Renormalization Group techniques are applied to supersymmetric models in order to get some insights into the low energy effective actions of such theories. Starting from the ultra-violet finite mass deformed N=4 supersymmetric…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
Kohn-Sham Density Functional Theory (KS-DFT) has been traditionally solved by the Self-Consistent Field (SCF) method. Behind the SCF loop is the physics intuition of solving a system of non-interactive single-electron wave functions under…
DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…
This paper presents a novel Riemannian conjugate gradient method for the Kohn-Sham energy minimization problem in density functional theory (DFT), with a focus on non-metallic crystal systems. We introduce an energy-adaptive metric that…
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields, ranging from materials science to biochemistry to…
We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio molecular dynamics simulations with…
This review paper uses renormalization group techniques for signal detection in nearly-continuous positive spectra. We highlight universal aspects of the analogue field-theory approach. The first aim is to present an extended…
The functional renormalisation group is employed to study the non-linear regime of late-time cosmic structure formation. This framework naturally allows for non-perturbative approximation schemes, usually guided by underlying symmetries or…
The free energy of the Coulomb Gap problem is expanded as a set of Feynman diagrams, using the standard diagrammatic methods of perturbation theory. The gap in the one-particle density of states due to long-ranged interactions corresponds…
A logical foundation of equilibrium state density functional theory in a Kohn-Sham type formulation is presented on the basis of Mermin's treatment of the grand canonical state. it is simpler and more satisfactory compared to the usual…
In this article we wish to present a new method to obtain spectral functions at finite temperature and density from the Functional Renormalization Group (FRG). The FRG offers a powerful non-perturbative tool to deal with phase transitions…
Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing to capture their scale-dependent nature. The functional…
We develop a functional renormalization group approach which describes the low-energy single-particle properties of the Anderson impurity model up to intermediate on-site interactions $U \lesssim 15 \Delta$, where $\Delta$ is the…
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio molecular dynamics, and high-throughput searches for functional…
A method is presented, which employs the density matrix renormalization group technique in order to construct exact ground state exchange correlation functionals for models of correlated electron systems coupled to external reservoirs. The…