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We demonstrate for the first time that a functional-renormalization-group aided density-functional theory (FRG-DFT) describes well the characteristic features of the excited states as well as the ground state of an interacting many-body…
We develop a formalism to describe electron ejections from graphene-like targets by dark matter (DM) scattering for general forms of scalar and spin 1/2 DM-electron interactions and compare their applicability and accuracy within the…
The key feature of nonlocal kinetic energy functionals is their ability to reduce to the Thomas-Fermi functional in the regions of high density and to the von Weizs\"acker functional in the region of low density/high density gradient. This…
We consider the single particle spectral function for a two-dimensional clean superconductor in a regime of strong critical thermal phase fluctuations. In the limit where the maximum of the superconducting gap is much smaller than the Fermi…
The thesis presents a comprehensive Raman spectroscopic and first-principle density functional theory based investigation of V_(1-x)PS_(3) ; PbTaSe_(2) and 1T-TaS_(2). In V_(1-x)PS_(3),the detection of fractionalized excitations (Majorana…
The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…
Transition-metal compounds (TMCs) with open-shell d-electrons are characterized by a complex interplay of lattice, charge, orbital, and spin degrees of freedom, giving rise to a diverse range of fascinating applications. Often exhibiting…
In quantum field theories at finite temperature spectral functions describe how particle systems behave in the presence of a thermal medium. Although data from lattice simulations can in principle be used to determine spectral function…
Based on our derivation of finite temperature reduced density matrix functional theory and the discussion of the performance of its first-order functional this work presents several different correlation-energy functionals and applies them…
Quarkonia, which are bound states of a heavy quark and antiquark, play a key role in probing the quark-gluon plasma (QGP). The dynamics of quarkonia in the QGP are encoded in their finite-temperature spectral functions. In this work, we…
We study the extended Thomas-Fermi (ETF) density functional of the superfluid unitary Fermi gas. This functional includes a gradient term which is essential to describe accurately the surface effects of the system, in particular with a…
We present time-dependent density matrix renormalization group (DMRG) results for strongly interacting one dimensional fermionic systems at finite temperature. When interactions are strong the characteristic spin energy can be greatly…
The key features of density-functional theory (DFT) within a minimalistic implementation of quantum electrodynamics are demonstrated, thus allowing to study elementary properties of quantum-electrodynamical density-functional theory…
We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
A new approach for calculating spectral density functions of strongly correlated electron systems is proposed within the exact diagonalization method of dynamical mean-field theory (DMFT). This approach is based on the analytic continuation…
The finite momentum meson spectral function (MSF) in the pseudoscalar channel is evaluated, adopting for the fermionic propagators HTL expressions. The different contributions to the meson spectral functions are clearly displayed. Our…
Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…
The leading order terms in a curvature expansion of the surface tension, the Tolman length (first order), and rigidities (second order) have been shown to play an important role in the description of nucleation processes. This work presents…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…