Related papers: Quantum Stress: Density Functional Theory Formulat…
Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…
Density Functional Theory's Kohn-Sham (KS) potential emerges as the minimizing effective potential in an unconstrained variational scheme that does not involve fixing the unknown single-electron density. The physical content behind the…
Ground-state electronic structure calculations using Kohn-Sham density functional theory (KS-DFT) offer an unprecedented balance between efficiency and accuracy, now paradigmatic to the fields of quantum chemistry and condensed matter…
The advent in this century of nano and microelectronics requires, by part of physicists and engineers, the need of an explanation of electrical phenomena such as the interaction of a body with external electric fields at its atomic…
We formulate the Kohn-Sham equations for the fractional quantum Hall effect by mapping the original electron problem into an auxiliary problem of composite fermions that experience a density dependent effective magnetic field.…
Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction can be replaced with the mathematically simpler 1-electron…
Quantum complexity quantifies the difficulty of preparing a state or implementing a unitary transformation with limited resources. Applications range from quantum computation to condensed matter physics and quantum gravity. We seek to…
In quantum field theory it is generally known that the energy density may be negative at a given point in spacetime. A number of papers have shown that there is a restriction on this energy density which is called a quantum inequality (QI).…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
A simple mathematical extension of quantum theory is presented. As well as opening the possibility of alternative methods of calculation, the additional formalism implies a new physical interpretation of the standard theory by providing a…
We present a simple derivation of the density of states (DOS) in confined nanomaterials. While previous studies often apply a heuristic $L^{3-d}$ confinement factor to bulk DOS expressions, we show that this factor arises naturally from a…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…
Quantum mass function has been applied in lots of fields because of its efficiency and validity of managing uncertainties in the form of quantum which can be regarded as an extension of classical Dempster-Shafer (D-S) evidence theory.…
We present a semiclassical framework in which stress-tensor deformations of a quantum field theory (QFT) reorganize into a gravitational action evaluated at a metric saddle. The deformed partition function can be written as a gravitational…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Multiscale plasmonic systems e.g. extended metallic nanostructures with sub-nanometer inter-distances) play a key role in the development of next-generation nano-photonic devices. An accurate modeling of the optical interactions in these…
The quantum fluctuation of the stress tensor of a quantum field are discussed, as are the resulting spacetime metric fluctuations. Passive quantum gravity is an approximation in which gravity is not directly quantized, but fluctuations of…
We propose a general path-integral definition of two-dimensional quantum field theories deformed by an integrable, irrelevant vector operator constructed from the components of the stress tensor and those of a $U(1)$ current. The deformed…
Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…