Related papers: Functional Renormalization Group and Kohn-Sham sch…
We study a model of Tensorial Group Field Theory (TGFT) on $\mathbb{R}^3$ from the point of view of the Functional Renormalisation Group. This is the first attempt to apply a renormalisation procedure to a TGFT model defined over a…
The idea of the functional renormalization group and one-loop improved renormalization group flows are reviewed. The associated flow equations and nonperturbative approximations schemes for its solutions are discussed. These techniques are…
The treatment of degenerate states within Kohn-Sham density functional theory (KS-DFT) is a problem of longstanding interest. We propose a solution to this mapping from the interacting degenerate system to that of the noninteracting fermion…
We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
In these lectures we introduce the functional renormalization group out of equilibrium. While in thermal equilibrium typically a Euclidean formulation is adequate, nonequilibrium properties require real-time descriptions. For quantum…
We study a $\phi^4$-theory at finite temperature in a finite volume. Quantum, thermal and volume fluctuations are treated with the functional renormalisation group. Specifically, we focus on the interplay of temperature and length scales…
The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…
Two of the most widely used electronic structure theory methods, namely Hartree-Fock and Kohn-Sham density functional theory, both requires the iterative solution of a set of Schr\"odinger-like equations. The speed of convergence of such…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…
A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant $e^2$ (or correlation), this work provides a firm basis for…
A rigorous derivation of the density functional via the effective action in the Hohenberg-Kohn theory is outlined. Using the auxiliary field method, in which the electric coupling constant $e^2$ need not be small, we show that the loop…
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…
Functional renormalization yields a simple unified description of bosons at zero temperature, in arbitrary space dimension $d$ and for $M$ complex fields. We concentrate on nonrelativistic bosons and an action with a linear time derivative.…
Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the…
We present a method to invert a given density and find the Kohn-Sham (KS) potential in Density Functional Theory (DFT) which shares that density. Our method employs the concept of screening density, which is naturally constrained by the…
After a short elementary introduction to the exact renormalization group for the effective action, I discuss a particular truncation of the hierarchy of flow equations that allows for the determination of the full momentum of the $n$-point…
A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi…
Renormalization group flow equations for scalar lambda Phi^4 are generated using three classes of smooth smearing functions. Numerical results for the critical exponent nu in three dimensions are calculated by means of a truncated series…
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…