Related papers: Existence of a Density Functional for an Intrinsic…
We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…
In this paper we investigate the (Kohn-Sham) density-to-potential map in the case of spinless fermions in one spatial dimension, whose existence has been rigorously established by the first author in [arXiv:2504.05501 (2025)]. Here, we…
The standard (``fine-grained'') interpretation of quantum density functional theory, in which densities are specified with infinitely-fine spatial resolution, is mathematically unruly. Here, a coarse-grained version of DFT, featuring…
At the basis of much of computational chemistry is density functional theory, as initiated by the Hohenberg-Kohn theorem. The theorem states that, when nuclei are fixed, nuclear potentials are determined by $1$-electron densities. We recast…
Quantum measurements can produce randomness arising from the uncertainty principle. When measuring a state with von Neumann measurements, the intrinsic randomness can be quantified by the quantum coherence of the state on the measurement…
Hohenberg-Kohn (HK) theorem is a cornerstone of modern electronic structure calculations. For interacting electrons, given that the internal part of the Hamiltonian ($\hat H_{int}$), containing the kinetic energy and Couloumb interaction of…
In this paper we construct such a set of `degenerate' Hamiltonians $\hat{H}$, which differ by an `intrinsic' constant but represent different physical systems yet possess the same ground state density. . Thus, although the proof of…
A logical foundation of equilibrium state density functional theory in a Kohn-Sham type formulation is presented on the basis of Mermin's treatment of the grand canonical state. it is simpler and more satisfactory compared to the usual…
A method of representing probabilistic aspects of quantum systems is introduced by means of a density function on the space of pure quantum states. In particular, a maximum entropy argument allows us to obtain a natural density function…
To derive black hole thermodynamics in any quantum theory of gravity, one must introduce constraints that ensure that a black hole is actually present. For a large class of black holes, the imposition of such ``horizon constraints'' allows…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…
We demonstrate under appropriate finiteness conditions that a coarse embedding induces an inequality of homological Dehn functions. Applications of the main results include a characterization of what finitely presentable groups may admit a…
In a previous paper, the author introduced the idea of intrinsic density --- a restriction of asymptotic density to sets whose density is invariant under computable permutation. We prove that sets with well-defined intrinsic density (and…
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid,…
The quantum de Finetti theorem asserts that the k-body density matrices of a N-body bosonic state approach a convex combination of Hartree states (pure tensor powers) when N is large and k fixed. In this note we review a construction due to…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
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…
We propose the idea that in Bohmian mechanics the wavefunction is related to a density of states and explore some of its consequences. Specifically, it allows a maximum-entropy interpretation of quantum probabilities, which creates a…
Randomness is a key feature of quantum physics. Heisenberg's uncertainty principle reveals the existence of an intrinsic noise, usually explored through Gaussian squeezed states. Due to their insufficiency for quantum advantage, the focus…