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We investigate the feasibility of extracting infinite volume scattering phase shift on quantum computers in a simple one-dimensional quantum mechanical model, using the formalism established in Ref.~\cite{Guo:2023ecc} that relates the…
Quantum field theory (QFT) describes nature using continuous fields, but physical properties of QFT are usually revealed in terms of measurements of observables at a finite resolution. We describe a multiscale representation of a free…
We present a consistent treatment of the quantum Hall effect within the electrostatic approximation. We derive the form of the density of states (DOS) which differs from the usual gaussian shape valid for non-interacting electrons. Below a…
We introduce the notion of electronic enthalpy for first-principles structural and dynamical calculations of finite systems under pressure. An external pressure field is allowed to act directly on the electronic structure of the system…
Quantum-electrodynamical density-functional theory (QEDFT) provides a promising avenue for exploring complex light-matter interactions in optical cavities for real materials. Similar to conventional density-functional theory, the Kohn-Sham…
Quantum electrodynamics near a boundary is investigated by considering the inertial mass shift of an electron near a dielectric or conducting surface. We show that in all tractable cases the shift can be written in terms of integrals over…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
A partial differential eigenvalue equation for the density displacement fields associated with electronic excitations is derived in the framework of density functional theory. Our quantum fluid-dynamical approach is based on a variational…
We study the quantum entanglement structure of integer quantum Hall states via the reduced density matrix of spatial subregions. In particular, we examine the eigenstates, spectrum and entanglement entropy (EE) of the density matrix for…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
We have recently developed a geometric formulation of the stress field for an interacting quantum system within the local density approximation (LDA) of density functional theory (DFT). We obtain a stress field which is invariant with…
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…
Motivated by the potential experimental relevance of magnetically affected heavy-quark diffusion, we consider here a five-dimensional nonlinear Einstein-Born-Infeld-dilaton model to not only holographically model the QCD thermodynamics in a…
This paper introduces the first quantum computing framework for Stochastic Quantum Power Flow (SQPF) analysis in power systems. The proposed method leverages quantum states to encode power flow distributions, enabling the use of Quantum…
We present results of a photon-free exchange-correlation functional within the local density approximation (pxcLDA) for quantum electrodynamics density functional theory (QEDFT) that efficiently describes the electron density of…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
In this paper we calculate the Casimir-Polder force density (force per unit area acting on the elements of the surface) on a metallic plate placed in front of a neutral atom. To obtain the force density we use the quantum operator…
We address the problem of sensing the curvature of a manifold by performing measurements on a particle constrained to the manifold itself. In particular, we consider situations where the dynamics of the particle is quantum mechanical and…