Related papers: Norm-conserving Hartree-Fock pseudopotentials and …
In most of the successful versions of covariant density functional theory in nuclei, the Fock terms are not included explicitly, which leads to local functionals and forms the basis of their widespread applicability at present. However, it…
In this paper we study the issue of the role of nonlocality as a possible ingredient to solve long standing problems in the physics of black holes. To achieve this goal we analytically derive new black hole metrics improved by corrections…
The spherical Hartree-Fock approximation is applied to the $abinitio$ no-core shell model, with a realistic effective nucleon-nucleon interaction in order to investigate the range of its utility. Hartree-Fock results for binding energies,…
We find theoretical results on energy eigenvalues and corresponding supersymmetric Hamiltonians reflect contradictory behavior for negative values of A. furthermore the resulting supersymmetric partners potentials can be model scattering…
The apparent nonlocality of the Coulomb gauge external field problem in electrodynamics is illustrated with an example in which nonlocality is especially striking. Explanation of this apparent nonlocal behaviour based on a purely local…
Semilocal density functional theory is the most used computational method for electronic structure calculations in theoretical solid-state physics and quantum chemistry of large systems, providing good accuracy with a very attractive…
Motivated by the equation satisfied by the extremals of certain Hardy-Sobolev type inequalities, we show sharp $L^q$ regularity for finite energy solutions of p-laplace equations involving critical exponents and possible singularity on a…
In this paper, we establish nonlinear Landau damping and asymptotic stability of a large class of translation-invariant steady solutions to the time-dependent Hartree--Fock equations in the presence of an {\em off-diagonal exchange…
In this paper, we study that the nearly critical nonlocal problem \begin{equation*} \left\lbrace \begin{aligned} &-\Delta u=(|x|^{-{(n-2)}}\ast u^{p-\epsilon})u^{p-1-\epsilon} \quad \mbox{in}\quad \Omega, &u>0\quad…
By adding a non-linear core correction to the well established Dual Space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew Burke Ernzerhof (PBE)…
Using the fractional moment method it is shown that, within the Hartree-Fock approximation for the Disordered Hubbard Hamiltonian, weakly interacting Fermions at positive temperature exhibit localization, suitably defined as exponential…
In this paper, the long-time asymptotic behaviours of nonlocal porous medium equations with absorption or convection are studied. In the parameter regimes when the nonlocal diffusion is dominant, the entropy method is adapted in this…
A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield…
In the case of polynomial potentials all solutions to 1-D Schroedinger equation are entire functions totally determined by loci of their roots and their behaviour at infinity. In this paper a description of the first of the two properties…
In this paper, we derive new results on the asymptotic behavior of eigenvalues of perturbed one-dimensional massive Dirac operators in the weak coupling limit. Two classes of potentials are considered. For bounded Hermitian potentials $V$…
We consider a certain ultrahyperbolic equation in a Euclidean space being a generalization of Klein-Gordon-Fock equation. The behavior of solutions at points tending to infinity along timelike directions is studied. We examine the issue of…
We study a non-linear Schroedinger equation with a Hartree-type nonlinearity and a localized random time-dependent external potential. Sharp dispersive estimates for the linear Schroedinger equation with a random time-dependent potential…
Extending density functional theory (DFT) to an {\it ab initio} orbital functional theory (OFT) requires new methodology for nonlocal exchange and correlation potentials. This paper describes such modifications to a standard Dirac-Slater…
An `effective' quasi-local energy expression, motivated by the (relativistically corrected) Newtonian theory, is introduced in exact GR as the volume integral of all the source terms in the field equation for the Newtonian potential in…
We analyze the scattering dynamics and spectrum of a quantum particle on a tight-binding lattice subject to a non-Hermitian (purely imaginary) local potential. The reflection, transmission and absorption coefficients are studied as a…