相关论文: Extensibility of Hohenberg-Kohn Theorem to general…

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…

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…

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…

A family of quantum Hamiltonians is said to be universal if any other finite-dimensional Hamiltonian can be approximately encoded within the low-energy space of a Hamiltonian from that family. If the encoding is efficient, universal…

The Hamilton principle is a variation principle describing the isolated and conservative systems, its Lagrange function is the difference between kinetic energy and potential energy. By Feynman path integration, we can obtain the Hermitian…

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…

Uniqueness of effective interaction defined in an extension of the Kohn-Sham theory is proved, if the model with a non-degenerate ground state exists and to reproduce a correlation function as well as the single-particle density of an…

We present a general conjecture for evaluating the multiple-discontinuity integrals that appear in real-time holography using gravitational Schwinger-Keldysh (grSK) geometry. Our conjecture is valid for arbitrary non-derivative interactions…

Many problems in physical chemistry involve systems that are coupled to an environment, such as a molecule interacting with an adjacent surface, possibly resulting in meta-stable molecular states where electron density is transferred to the…

We prove an adiabatic theorem for infinitely extended lattice fermion systems with gapped ground states, allowing perturbations that may close the gap. The Heisenberg dynamics on the CAR-algebra is generated by a time dependent…

According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…

In this paper, we extend the standard formalism of quantum mechanics to a quantum theory for a total system including one internal measuring apparatus. The internality of the measuring apparatus implies that different decomposition of a…

The exact static and time-dependent Kohn-Sham (KS) exchange-correlation (xc) potential is extremely challenging to approximate as it is a local multiplicative potential that depends on the electron density everywhere in the system. The KS…

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

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…

Classical mechanics admits multiple equivalent formulations, from Newton's equations to the variational Lagrange-Hamilton framework and the scalar Hamilton-Jacobi (HJ) theory. In the HJ formulation, classical ensembles evolve through the…

In the past eighty years, the Goldman-Hodgkins-Katz (GHK) equation has been the gold-standard framework for interpreting countless biological and physiological experiments and simulations that involve ion transport in…

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

This work introduces a novel model of quantum entities as unified, physically extended wavefields, forming the basis for a testable realist, holist framework for quantum measurement and collapse. Unlike interpretations that postulate hidden…

We derive the effective Hamiltonian $H - \mu N$ for open quantum systems with varying particle number from first principles within the framework of non-relativistic quantum statistical mechanics. We prove that under physically motivated…