Related papers: Refining and relating fundamentals of functional t…
This paper investigates first-order variable metric backward forward dynamical systems associated with monotone inclusion and convex minimization problems in real Hilbert space. The operators are chosen so that the backward-forward…
The derivation of the state of the art tensorial versions of Fundamental Measure Theory (a form of classical Density Functional Theory for hard spheres) are re-examined in the light of the recently introduced concept of global stability of…
The bulk of recent cosmological research has focused on the adiabatic cold dark matter model and its simple extensions. Here we present an accurate fitting formula that describes the matter transfer functions of all common variants,…
The variational determination of the two-fermion reduced density matrix is described for harmonically trapped, ultracold few-fermion systems in one dimension with equal spin populations. This is accomplished by formulating the problem as a…
In this work we illustrate a general framework to describe the LHC phenomenology of extended scalar (and fermion) sectors, with focus on dark matter (DM) physics, based on an effective field theory (EFT) with non-linearly realized…
We analyse a path to construct density functionals for the dispersion interaction energy from an expression in terms of the ground state densities and exchange-correlation holes of the isolated fragments. The expression is based on a…
Representing fermionic wavefunctions efficiently is a central problem in quantum physics, chemistry and materials science. In this work, we introduce a universal and exact representation of continuous antisymmetric functions by lifting them…
Universal exact conditions guided the construction of most ground-state density functional approximations in use today. We derive the relation between the entropy and Mermin free energy density functionals for thermal density functional…
The recently proposed Householder transformed density-matrix functional embedding theory (Ht-DMFET) [Sekaran et al., Phys. Rev. B 104, 035121 (2021)], which is equivalent to (but formally simpler than) density matrix embedding theory (DMET)…
We introduce Fermi Sets, a universal and physically interpretable neural architecture for fermionic many-body wavefunctions. Building on a ``parity-graded'' representation [1], we prove that any continuous fermionic wavefunction on a…
Spaces $S_{\omega}, S_{\{\omega\}}, S_{(\omega)}$ of ultradecreasing ultradifferentiable (or for short, ultra-S) functions, depending on a weight $e^{\omega(x)}$, are introduced in the context of quantum statistics. The corresponding…
Recently, an approximate theoretical framework was introduced, called local reduced density matrix functional theory (local-RDMFT), where functionals of the one-body reduced density matrix (1-RDM) are minimized under the additional…
We study an exactly solvable quantum field theory (QFT) model describing interacting fermions in 2+1 dimensions. This model is motivated by physical arguments suggesting that it provides an effective description of spinless fermions on a…
In this work, we consider the approximate reconstruction of high-dimensional periodic functions based on sampling values. As sampling schemes, we utilize so-called reconstructing multiple rank-1 lattices, which combine several preferable…
The Mott-Hubbard metal-insulator transition is studied within a simplified version of the Dynamical Mean-Field Theory (DMFT) in which the coupling between the impurity level and the conduction band is approximated by a single pole at the…
Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search…
A detailed analysis of density-functional theory for quantum-electrodynamical model systems is provided. In particular, the quantum Rabi model, the Dicke model, and a generalization of the latter to multiple modes are considered. We prove a…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
In this paper, we generalize the weighted Fourier transform with respect to a function, originally proposed for the one-dimensional case in \cite{Dorrego}, to the $n$-dimensional Euclidean space $\mathbb{R}^{n}$. We develop a comprehensive…