相关论文: On the Necessary Conditions for the Validity of th…
Under certain simplifying conditions we detect monotonicity properties of the ground-state energy and the canonical-equilibrium density matrix of a spinless charged particle in the Euclidean plane subject to a perpendicular, possibly…
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…
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…
We demonstrate the danger of a naive identification of kinetic coefficients in the free-electron response expansion in powers of an external electric field and coefficients in the expansion of the corresponding equilibrium quantity in…
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…
The relativistic quantum dynamics of a spinless charged particle interacting with both Aharonov-Bohm and Coulomb-type potentials in the G\"odel-type spacetime is considered. The dynamics of the system is governed by the Klein-Gordon…
In the unitary regime, fermions interact strongly via two-body potentials that exhibit a zero range and a (negative) infinite scattering length. The energy density is proportional to the free Fermi gas with a proportionality constant $\xi$.…
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…
Assuming that the free energy of a gas depends non-locally on the logarithm of its mass density, the body force in the resulting equation of motion consists of the sum of density gradient terms. Truncating this series after the second term,…
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…
(A) The momentum density conjugate to a bosonic quantum field splits naturally into the sum of a classical component and a nonclassical component. It is shown that the field and the nonclassical component of the momentum density satisfy…
Force fields are usually formulated directly in nuclear configuration space, whereas density functional theory is naturally formulated in terms of external potentials, densities, and variational duality. We show that exact force fields are…
We investigate a free energy functional that arises in aggregation-diffusion phenomena modelled by nonlocal interactions and local repulsion on the hyperbolic space $\bbh^\dm$. The free energy consists of two competing terms: an entropy,…
One-electron self-interaction and an incorrect asymptotic behavior of the Kohn-Sham exchange-correlation potential are among the most prominent limitations of many present-day density functionals. However, a one-electron…
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…
A logical foundation of equilibrium state density functional theory in a Kohn-Sham type formulation is presented on the basis of Mermin's treatment of the grand canonical state. it is simpler and more satisfactory compared to the usual…
For a system of n interacting electrons moving in the background of a "homogeneous" potential, we show that, if the single electron Hamiltonian admits a density of states, so does the interacting Hamiltonian. Moreover this integrated…
An analysis of the energy exchange by photons is presented based on single-photon Gedanken experiments and the Heisenberg uncertainty principle. Excluding hidden variable properties of a single photon one has to accept that the total photon…
Density functional theory together with the Kohn-Sham scheme represent an efficient framework to recover the ground state density and energy of a many-body quantum system from an auxiliary ``non-interacting'' system (one-body with a local…
We consider the steady state of an open system in which there is a flux of matter between two reservoirs at different chemical potentials. For a large system of size $N$, the probability of any macroscopic density profile $\rho(x)$ is…