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Related papers: Corollary to the Hohenberg-Kohn Theorem

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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

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

The Hohenberg-Kohn (HK) theorems of bijectivity between the external scalar potential and the gauge invariant nondegenerate ground state density, and the consequent Euler variational principle for the density, are proved for arbitrary…

Strongly Correlated Electrons · Physics 2015-08-26 Xiao-Yin Pan , Viraht Sahni

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

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 (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

In a recent PRL, Gonze et al claim that the density functional theory in Hohenberg-Kohn formulation is not valid for crystalline solids in a homogenious electric field. They introduce another theory, density-and-polarization functional…

Condensed Matter · Physics 2007-05-23 I. I. Mazin , R. E. Cohen

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

H-theorem gives necessary conditions for a system to evolve in time with a non-diminishing entropy. In a quantum case the role of H-theorem plays the unitality criteria of a quantum channel transformation describing the evolution of the…

Quantum Physics · Physics 2019-10-30 A. V. Lebedev , G. B. Lesovik

We consider Hamiltonians of models describing non-relativistic quantum mechanical matter coupled to a relativistic field of bosons. If the free Hamiltonian has an eigenvalue, we show that this eigenvalue persists also for nonzero coupling.…

Mathematical Physics · Physics 2023-11-01 David Hasler , Markus Lange

We discuss an extension of the Hamilton-Jacobi theory to nonholonomic mechanics with a particular interest in its application to exactly integrating the equations of motion. We give an intrinsic proof of a nonholonomic analogue of the…

Mathematical Physics · Physics 2011-08-15 Tomoki Ohsawa , Anthony M. Bloch

Microscopically conserving reduced models of many-body systems have a long, highly successful history. Established theories of this type are the random-phase approximation for Coulomb fluids and the particle-particle ladder model for…

Strongly Correlated Electrons · Physics 2019-07-19 Frederick Green

Density functional theory (DFT) has become a basic tool for the study of electronic structure of matter, in which the Hohenberg-Kohn theorem plays a fundamental role in the development of DFT. Unfortunately, the existing proofs are…

Quantum Physics · Physics 2011-08-24 Aihui Zhou

A translation invariant Hamiltonian $H$ in the nonrelativistic quantum electrodynamics is studied. This Hamiltonian is decomposed with respect to the total momentum $\tot$: $$H=\int_{\BR} ^\oplus \fri(P) dP,$$ where the self-adjoint fiber…

Mathematical Physics · Physics 2007-05-23 Fumio Hiroshima

We investigate the effect on the Hamiltonian structure of general relativity of choosing an intrinsic time to fix the time slicing. 3-covariance with momentum constraint is maintained, but the Hamiltonian constraint is replaced by a…

General Relativity and Quantum Cosmology · Physics 2013-04-30 Niall Ó Murchadha , Chopin Soo , Hoi-Lai Yu

An attempt is made to construct composable composite entropy with different $q$ indices of subsystems and address the H-theorem problem of the composite system. Though the H-theorem does not hold in general situations, it is shown that some…

Statistical Mechanics · Physics 2009-10-31 K. Sasaki , M. Hotta

The density functional theory is extended to account for self-bound systems. To this end the Hohenberg-Kohn theorem is formulated for the intrinsic density and a Kohn-Sham like procedure for an $N$--body system is derived using the…

Nuclear Theory · Physics 2008-11-26 Nir Barnea

When a Hamiltonian density is bounded by below, we know that the lowest-energy state must be stable. One is often tempted to reverse the theorem and therefore believe that an unbounded Hamiltonian density always implies an instability. The…

General Relativity and Quantum Cosmology · Physics 2023-12-08 Gilles Esposito-Farese

Within the decoherence theory we investigate the physical background of the condition of the separability (diagonalizability in noncorrelated basis) of the interaction Hamiltonian of the composite system, "system plus environment". It…

Quantum Physics · Physics 2007-05-23 M. Dugic

We derive the Helmholtz theorem for stochastic Hamiltonian systems. Precisely, we give a theorem characterizing Stratonovich stochastic differential equations, admitting a Hamiltonian formulation. Moreover, in the affirmative case, we give…

Probability · Mathematics 2015-07-23 Frédéric Pierret
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