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We analyze the inverse problem of Density Functional Theory using a regularized variational method. First, we show that given $k$ and a target density $\rho$, there exist potentials having $k^{\text{th}}$ bound mixed states which densities…

Mathematical Physics · Physics 2022-07-01 Louis Garrigue

We present a formulation of Quantum Electrodynamics in terms of an antisymmetric tensor gauge field. In this formulation the topological current of this field appears as a source for the electromagnetic field and the topological charge…

High Energy Physics - Theory · Physics 2015-06-26 E. C. Marino

The classical electromagnetic field of a spinless point electron is described in a formalism with extended causality by discrete finite point-vector fields with discrete and localized point interactions. These fields are taken as a…

High Energy Physics - Theory · Physics 2016-08-15 Manoelito M de Souza , Jair V. Costa , Adriano S. Pedra

We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…

Superconductivity · Physics 2009-11-13 K. M. Ho , J. Schmalian , C. Z. Wang

We consider the quantum field theory for a scalar model of the electromagnetic field interacting with a system of two-level atoms. In this setting, we show that it is possible to uniquely determine the density of atoms from measurements of…

Analysis of PDEs · Mathematics 2026-02-03 Matti Lassas , Medet Nursultanov , Lauri Oksanen , John C. Schotland

The classical Maxwell--Born--Infeld field equations coupled with a Hamilton--Jacobi law of point charge motion are partially quantized by coupling the Hamilton-Jacobi phase function with an amplitude function, which combines with the phase…

Mathematical Physics · Physics 2009-11-10 Michael K. -H. Kiessling

Previously we conjectured that extremely high Electromagnetic (EM) fields in a vacuum generate a gravitational field that causes Maxwell's equations to no longer be linear. This results in a "4-force" in the field configuration space, also…

General Physics · Physics 2023-12-12 Pierre Marx

The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…

Computational Physics · Physics 2021-01-04 James F. Lutsko , Cédric Schoonen

In this paper density functionals for Coulomb systems subjected to electric and magnetic fields are developed. The density functionals depend on the particle density, $\rho$, and paramagnetic current density, $j^p$. This approach is…

Mathematical Physics · Physics 2014-05-26 Andre Laestadius

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 show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of…

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

Quantum Physics · Physics 2007-05-23 Xiao Zheng , Fan Wang , GuanHua Chen

A formal correspondence is established between the curvature theory of generalized implicit hypersurfaces, electromagnetism as expressed in terms of exterior differential systems, and thermodynamics. Starting with a generalized implicit…

General Relativity and Quantum Cosmology · Physics 2007-05-23 R. M. Kiehn

Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Harold U. Baranger , Weitao Yang

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated…

Strongly Correlated Electrons · Physics 2012-08-06 E. M. Stoudenmire , Lucas O. Wagner , Steven R. White , Kieron Burke

We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…

Chemical Physics · Physics 2025-11-14 Chen Li , Ryan Requist , E. K. U. Gross

We prove a generalization of the van Leeuwen theorem towards quantum electrodynamics, providing the formal foundations of a time-dependent Kohn-Sham construction for coupled quantized matter and electromagnetic fields. Thereby we circumvent…

Quantum Physics · Physics 2011-10-11 M. Ruggenthaler , F. Mackenroth , D. Bauer

Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…

Chemical Physics · Physics 2025-01-20 Christof Holzer , Yannick J. Franzke

In the accompanying Comment [Phys. Rev. A {\bf 67}, 056501 (2003)], I. Lindgren and S. Salomonson claim to prove for the Kohn-Sham kinetic energy functional of ground state electron density that a Fr\"echet functional derivative exists,…

Atomic Physics · Physics 2007-05-23 R. K. Nesbet

In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…

Computational Physics · Physics 2019-07-17 Uliana Mordovina , Teresa E. Reinhard , Iris Theophilou , Heiko Appel , Angel Rubio