Related papers: Uncertainty relations for the Hohenberg-Kohn theor…
We implement the Heisenberg principle into the Constrained Molecular Dynamics (CoMD) model with a similar approach to the Pauli principle using the one-body occupation probability $\bar{f}_i$. Results of the modified and the original model…
We present examples of many-body Wigner quantum systems. The position and the momentum operators ${\bf R}_A$ and ${\bf P}_A,\; A=1,\ldots,n+1$, of the particles are noncanonical and are chosen so that the Heisenberg and the Hamiltonian…
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…
A striking consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of a bijection between the local density and the ground-state many-body wave function. Here we study the problem of constructing…
In this work we focus on a recently introduced method [1] to construct the external potential $v$ that, for a given initial state, produces a prescribed time-dependent density in an interacting quantum many-body system. We show how this…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
We consider a non relativistic quantum system consisting of $K$ heavy and $N$ light particles in dimension three, where each heavy particle interacts with the light ones via a two-body potential $\alpha V$. No interaction is assumed among…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…
The Floquet theorem allows to reformulate periodic time-dependent problems such as the interaction of a many-body system with a laser field in terms of time-independent, field-dressed states, also known as Floquet states. If this was…
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…
In the last twenty years, Rydberg atoms have become a versatile and much studied system for implementing quantum many-body systems in the framework of quantum computation and quantum simulation. However, even in the absence of coherent…
Discussions about whether quantum theory is determinism or indeterminism has lasted for a century. A new approach to standard quantum mechanics called many-interacting-worlds method based on many-worlds interpretation and de Broglie-Bohm…
The density functional theory originally developed by Hohenberg, Kohn and Sham provides a rigorous conceptual framework for dealing with inhomogeneous interacting Fermi systems. We extend this approach to deal with inhomogeneous interacting…
Quantum Optimal Control Theory (QOCT) provides the necessary tools to theoretically design driving fields capable of controlling a quantum system towards a given state or along a prescribed path in Hilbert space. This theory must be…
Interrelation of the Coleman's representabilty theory for 1-density operators and abstract algebraic form of the Hohenberg-Kohn theorem is studied in detail. Convenient realization of the Hohenberg-Kohn set of classes of 1-electron…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
We prove a theorem, using the density functional approach and relying on a classical result by Lieb and Simon on Thomas-Fermi model, showing that in the thermodynamic limit bulk matter is at most semiclassical and coherence preserving. The…
Based on the work of Gorling and that of Levy and Nagy, density-functional formalism for many Fermionic excited-states is explored through a careful and rigorous analysis of the excited-state density to external potential mapping. It is…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…