Related papers: Norm-conserving Hartree-Fock pseudopotentials and …
Depending on the behaviour of the complex-valued electromagnetic potential in the neighbourhood of infinity, pseudomodes of one-dimensional Dirac operators corresponding to large pseudoeigenvalues are constructed. This is a first systematic…
In this article, we consider quantum crystals with defects in the reduced Hartree-Fock framework. The nuclei are supposed to be classical particles arranged around a reference periodic configuration. The perturbation is assumed to be small…
This paper studies properties of binary runlength-limited sequences with additional constraints on their Hamming weight and/or their number of runs of identical symbols. An algebraic and a probabilistic (entropic) characterization of the…
The asymptotic log-Harnack inequality is established for several different models of stochastic differential systems with infinite memory: non-degenerate SDEs, Neutral SDEs, semi-linear SPDEs, and stochastic Hamiltonian systems. As…
The ground states of topological orders condense extended objects and support topological excitations. This nontrivial property leads to nonzero topological entanglement entropy $S_{topo}$ for conventional topological orders. Fracton…
Energy barriers, which control the rates of chemical reactions, are seriously underestimated by computationally-efficient semi-local approximations for the exchange-correlation energy. The accuracy of a semi-local density functional…
Understanding how local potentials affect system eigenmodes is crucial for experimental studies of nontrivial bulk topology. Recent studies have discovered many exotic and highly non-trivial topological states in non-Hermitian systems. As…
We highlight the conceptual issues that arise when one applies the quasi-Hermitian framework to analyze scattering from localized non-Hermitian potentials, in particular complex square-wells or delta-functions. When treated in the framework…
This paper is devoted to the asymptotics of eigenvalues for a Schr\"o-dinger operator in the case when the potential V does not tend to infinity at infinity. Such a potential is called degenerate. The point is that the set in the phase…
A new pseudopotential generation method is presented which significantly improves transferability. The method exploits the flexibility contained in the separable Kleinman-Bylander form of the nonlocal pseudopotential [Phys. Rev. Lett. 48,…
In this paper, we consider the asymptotic behaviors of small solutions to the semi-relativistic Hartree equations in two dimension. The nonlinear term is convolved with the Coulomb potential 1/|x|, and it produces the long-range interaction…
Antiferromagnetic and charge ordered Hartree-Fock solutions of the one-band Hubbard model with on-site and nearest-neighbor Coulomb repulsions are exactly mapped onto an auxiliary local Kohn-Sham (KS) problem within a density-functional…
Proton and neutron densities from Skyrme-Hartree-Fock (SHF) calculations are used to generate non-local (g-folding) proton-nucleus optical potentials. They are formed by folding the densities with realistic nucleon-nucleon interactions. The…
The asymptotic behavior of the vorticity for the steady incompressible Navier-Stokes equations in a two-dimensional exterior domain is described in the case where the velocity at infinity $\boldsymbol{u}_{\infty}$ is nonzero. It is well…
Local minimum appearing in the interionic pair interactions, when derived from local model pseudopotential, for Al (and some other polyvalent metals) remains as a long standing problem of clear understanding although some attempts are made…
We study asymptotics of eigenvalues, eigenfunctions and norming constants of singular energy-dependent Sturm--Liouville equations with complex-valued potentials. The analysis essentially exploits the integral representation of solutions,…
We study the low temperature transport characteristics of a disordered metal in the presence of electron-electron interactions. We compare Hartree-Fock and dynamical mean field theory (DMFT) calculations to investigate the scattering…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
The nuclear symmetry energy $E_{sym}(\rho)$ and its density slope $L(\rho)$ can be decomposed analytically in terms of the single-nucleon potential in isospin asymmetric nuclear matter. Using three popular nuclear effective interaction…
Asymptotic behavior of solutions to heat equations with spatially singular inverse-square potentials is studied. By combining a parabolic Almgren type monotonicity formula with blow-up methods, we evaluate the exact behavior near the…