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Localized basis sets in the projector augmented wave formalism allow for computationally efficient calculations within density functional theory (DFT). However, achieving high numerical accuracy requires an extensive basis set, which also…
A relativistic quantum field theory is presented for finite density problems based on the principle of locality. It is found that, in addition to the conventional ones, a local approach to the relativistic quantum field theories at both…
The importance of the Lieb-Simon proof of the relative exactness of Thomas-Fermi theory in the large-Z limit to modern density functional theory (DFT) is explored. The principle, that there is a specific semiclassical limit in which…
We study both static and transport properties of model quantum dots, employing density functional theory as well as (numerically) exact methods. For the lattice model under consideration the accuracy of the local-density approximation…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
We consider a quantum system of non-interacting fermions at temperature T, in the framework of linear response theory. We show that semiclassical theory is an appropriate framework to describe some of their thermodynamic properties, in…
Nonlocal gravity is the recent classical nonlocal generalization of Einstein's theory of gravitation in which the past history of the gravitational field is taken into account. In this theory, nonlocality appears to simulate dark matter.…
We consider two-dimensional (2D) "artificial atoms" confined by an axially symmetric potential $V(\rho)$. Such configurations arise in circular quantum dots and other systems effectively restricted to a 2D layer. Using the semiclassical…
Thermal equilibrium states of local quantum many-body systems are notorious for their spatially decaying correlations, which place severe restrictions on the types of many-body entanglement structures that may be observed at finite…
The existence of a generalized fluctuation-dissipation theorem observed in simulations and experiments performed in various glassy materials is related to the concepts of local equilibration and heterogeneity in space. Assuming the…
Biomolecular thermodynamics and spectroscopy depend on relative conformer energies, local curvatures, and collective dipole fluctuations on the potential-energy surface. Conventional molecular mechanics force fields enable large-scale…
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
We consider a 1-parameter family of self-adjoint extensions of the Hamiltonian for a particle confined to a finite interval with perfectly reflecting boundary conditions. In some cases, one obtains negative energy states which seems to…
We investigate the relationship between nonlocal and local quantum field theories, and search for a viable notion of "local limit" to relate the unitary models. In Euclidean space it is relatively easy to have nonlocal theories with…
We give an integral expression for the vector potential of a time-independent, steady azimuthal current density. Our derivation is substantially simpler and somewhat more general than others given in the literature. As an illustration, we…
A new approach to approximate the kinetic-energy-functional dependent component ($v_t[\rho_A,\rho_B](\vec{r})$) of the effective potential in one-electron equations for orbitals embedded in a frozen density environment (Eqs. 20-21 in…
For the general class of quasifree fermionic right mover/left mover systems over the infinitely extended two-sided discrete line introduced in [8] within the algebraic framework of quantum statistical mechanics, we study the von Neumann…
A new family of non-Hermitian PT-symmetric quantum models is proposed in which the Hamiltonians $H=T+V$ are finite-dimensional and in which the dynamical-input potential $V$ is multi-parametric and non-local. The choice is supported by the…
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…