相关论文: Metric space approach to potentials and its releva…

We address the nonlinear properties of the double-Morse potential as a resource for single-mode quantum states due to its double-well structure and anharmonicity. We obtain analytical expressions for the ground-state wavefunction and the…

Using the kinematic constraints of classical bodies we construct the allowable wavefunctions corresponding to classical solids. These are shown to be long lived metastable states that are qualitatively far from eigenstates of the true…

The locality hypothesis in density-functional theory (DFT) states that the functional derivative of the Hohenberg-Kohn universal functional can be expressed as a local multiplicative potential function, and this is the basis of DFT and of…

The aim of the manuscript is to characterize monotone `metric' in the space of Markov map. Here, `metric' means the square of the norm defined on the tangent space, and not necessarily induced from an inner product (this property hereafter…

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

In this paper, we present a general theory of finite quantum measurements, for which we assume that the state space of the measured system is a finite dimensional Hilbert space and that the possible outcomes of a measurement is a finite set…

Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…

We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large…

Using the Kohn-Sham (KS) inversion method of Hollins et al. [J. Phys.: Condens. Matter 29, 04LT01 (2017)], we invert densities from variational and diffusion quantum Monte Carlo (QMC) calculations to obtain benchmark QMC-KS potentials for a…

Systems built out of N-body interactions, beyond 2-body interactions, are formulated on the plane, and investigated classically and quantum mechanically (in phase space). Their Wigner Functions--the density matrices in phase-space…

Quantum metrology research promises approaches to build new sensors that achieve the ultimate level of precision measurement and perform fundamentally better than modern sensors. Practical schemes that tolerate realistic fabrication…

Two-body interactions of elementary particles are useful in particle and nuclear physics to describe qualitatively and quantitatively few- and many-body systems. We are extending for this purpose the quantum inversion approach for systems…

We study the impact of many-body effects on the fundamental precision limits in quantum metrology. On the one hand such effects may lead to non-linear Hamiltonians, studied in the field of non-linear quantum metrology, while on the other…

The goal of quantum metrology is the precise estimation of parameters using quantum properties such as entanglement. This estimation usually consists of three steps: state preparation, time evolution during which information of the…

The question of how density functional theory (DFT) compares with Hartree-Fock (HF) for the computation of momentum-space properties is addressed in relation to systems for which (near) exact Kohn-Sham (KS) and HF one-electron matrices are…

We present a method using Feynman-like diagrams to calculate the statistical properties of random many-body potentials. This method provides a promising alternative to existing techniques typically applied to this class of problems, such as…

A numerical bootstrap method is proposed to provide rigorous and nontrivial bounds in general quantum many-body systems with locality. In particular, lower bounds on ground state energies of local lattice systems are obtained by imposing…

We introduce a non-equilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the…

We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…

In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…