English
Related papers

Related papers: Existence of a Density Functional for an Intrinsic…

200 papers

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…

Strongly Correlated Electrons · Physics 2015-06-11 J. Lorenzana , Z. -J. Ying , V. Brosco

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…

Mathematical Physics · Physics 2025-12-05 Thiago Carvalho Corso , Andre Laestadius

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…

Mathematical Physics · Physics 2015-05-13 Paul E. Lammert

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…

Functional Analysis · Mathematics 2017-11-28 Omar Hijab

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…

Quantum Physics · Physics 2022-03-17 Hao Dai , Boyang Chen , Xingjian Zhang , Xiongfeng Ma

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…

Quantum Physics · Physics 2022-08-24 Limin Xu , Jiahao Mao , Xingyu Gao , Zheng Liu

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…

Materials Science · Physics 2007-05-23 Xiao-Yin Pan , Viraht Sahni

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…

Materials Science · Physics 2015-05-18 Helmut Eschrig

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…

Quantum Physics · Physics 2015-06-26 D. C. Brody , L. P. Hughston

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…

General Relativity and Quantum Cosmology · Physics 2015-05-13 S. Carlip

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…

Materials Science · Physics 2017-08-23 M. Ya. Amusia , A. Z. Msezane , V. R. Shaginyan

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…

Chemical Physics · Physics 2018-01-17 Erik Tellgren

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…

Geometric Topology · Mathematics 2020-11-19 Robert Kropholler , Mark Pengitore

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…

Logic · Mathematics 2017-09-06 Eric P. Astor

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,…

Statistical Mechanics · Physics 2009-10-30 A. R. Denton , P. Nielaba , N. W. Ashcroft

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…

Mathematical Physics · Physics 2014-08-25 Mathieu Lewin , Phan Thành Nam , Nicolas Rougerie

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…

Materials Science · Physics 2021-12-14 He Ma , Nan Sheng , Marco Govoni , Giulia Galli

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…

Other Condensed Matter · Physics 2009-09-22 Yi-Kuo Yu

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…

Quantum Physics · Physics 2007-05-23 Guy Potvin

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…

Quantum Physics · Physics 2025-11-20 Vojtěch Kala , Jiří Fadrný , Michal Neset , Jan Bílek , Petr Marek , Miroslav Ježek