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Related papers: Hohenberg-Kohn Theorems in Electrostatic and Unifo…

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The Hohenberg-Kohn (HK) theorem -- the bedrock of density functional theory (DFT) -- establishes a universal map from the external potential to the energy. It also relates the electron density and atomic forces to the variation of the…

Chemical Physics · Physics 2025-12-15 Sambit Das , Bikash Kanungo , Arghadwip Paul , Vikram Gavini

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

It is shown that the Hohenberg-Kohn lemma and theorem are direct consequences of the statement that the ground state energy (or free energy) of a system of interacting particles in an external field is a unique functional of the potential…

Statistical Mechanics · Physics 2010-08-17 V. B. Bobrov , S. A. Trigger , G. J. F. van Heijst

The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an ${\mathcal N}$-body system. The problem is rigorously explored in a universe…

Other Condensed Matter · Physics 2018-04-12 Paul E. Lammert

The Hohenberg-Kohn theorem plays a fundamental role in density functional theory, which has become a basic tool for the study of electronic structure of matter. In this article, we study the Hohenberg-Kohn theorem for a class of external…

Chemical Physics · Physics 2017-09-22 Aihui Zhou

For a many-electron system, whether the particle density $\rho(\mathbf{r})$ and the total current density $\mathbf{j}(\mathbf{r})$ are sufficient to determine the one-body potential $V(\mathbf{r})$ and vector potential…

Quantum Physics · Physics 2015-04-01 Andre Laestadius , Michael Benedicks

The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…

Strongly Correlated Electrons · Physics 2009-10-31 H. Eschrig , W. E. Pickett

Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…

Statistical Mechanics · Physics 2011-03-24 V. B. Bobrov , S. A. Trigger

Density-functional theory requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-invariant, total current density takes that role. A peculiar…

Chemical Physics · Physics 2024-10-22 Andre Laestadius , Markus Penz , Erik I. Tellgren

Many equations have been introduced and derived by the author indicated in the title in relation to multi-electron densities between the Hohenberg-Kohn theorems and variational principle, conversion of the non-relativistic electronic…

Chemical Physics · Physics 2017-09-22 Sandor Kristyan

The Hohenberg-Kohn (HK) theorem is one of the most fundamental theorems of quantum mechanics, and constitutes the basis for the very successful density-functional approach to inhomogeneous interacting many-particle systems. Here we show…

Materials Science · Physics 2009-11-11 K. Capelle , C. A. Ullrich , G. Vignale

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

The Hohenberg-Kohn theorem of the density functional theory is extended by modifying the Levy constrained-search formulation. The new theorem allows us to choose arbitrary physical quantities as the basic variables which determine the…

Condensed Matter · Physics 2009-11-10 M. Higuchi , K. Higuchi

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh--Ritz (RR) variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the…

Chemical Physics · Physics 2015-06-26 Simen Kvaal , Trygve Helgaker

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…

The variety of bi-confluent Heun potentials for a stationary relativistic wave equation for a spinless particle is presented. The physical potentials and energy spectrum of this wave equation are related to those for a corresponding…

Quantum Physics · Physics 2019-02-07 H. H. Azizbekyan , A. M. Manukyan , V. M. Mekhitarian , A. M. Ishkhanyan

It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…

Condensed Matter · Physics 2007-05-23 R. K. Nesbet

The Schr\"odinger theory of electrons in an external electromagnetic field can be described from the perspective of the individual electron via the `Quantal Newtonian' laws (or differential virial theorems). These laws are in terms of…

Quantum Physics · Physics 2016-11-23 Viraht Sahni , Xiao-Yin Pan

It is demonstrated that the original reductio ad absurdum proof of the generalization of the Hohenberg-Kohn theorem for ensembles of fractionally occupied states for isolated many-electron Coulomb systems with Coulomb-type external…

Quantum Physics · Physics 2009-11-13 E. S. Kryachko

We study the effective interactions of external electromagnetic fields induced by fluctuations of virtual particles in the vacuum of quantum electrodynamics. Our main focus is on these interactions at two-loop order. We discuss in detail…

High Energy Physics - Theory · Physics 2022-06-02 Holger Gies , Felix Karbstein
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