Related papers: Asymptotic Correction Schemes for Semilocal Exchan…
New algorithms for construction of asymptotic expansions for stationary distributions of nonlinearly perturbed semi-Markov processes with finite phase spaces are presented. These algorithms are based on a special technique of sequential…
We develop relativistic short-range exchange energy functionals for four-component relativistic range-separated density-functional theory using a Dirac-Coulomb Hamiltonian in the no-pair approximation. We show how to improve the short-range…
We study a spatial asymptotic behaviour at infinity of kernels $p_t(x)$ for convolution semigroups of nonlocal pseudo-differential operators. We give general and sharp sufficient conditions under which the limits $$ \lim_{r \to \infty}…
We present a new class of non-adiabatic approximations in time-dependent density functional theory derived from an exact expression for the time-dependent exchange-correlation potential. The approximations reproduce dynamical step and peak…
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of…
We present a screened exact-exchange (SXX) method for the efficient and accurate calculation of the optical properties of solids, where the screening is achieved through the zero-wavevector limit of the inverse dielectric function. The SXX…
We study a new exchange interaction in which the conduction electrons with pseudo spin $S_c=3/2$ interact with the impurity spin $S_I=1/2$. Due to the overscreening of the impurity spin by higher conduction electron spin, a new non-trivial…
We consider base-$\beta$ expansions of Parry's type, where $a_0 \geq a_1 \geq 1$ are integers and $a_0<\beta <a_0+1$ is the positive solution to $\beta^2 = a_0\beta + a_1$ (the golden ratio corresponds to $a_0=a_1=1$). The map $x\mapsto…
The asymptotic analysis of Bergman kernels with respect to exponentially varying measures near emergent interfaces has attracted recent attention. Such interfaces typically occur when the associated limiting Bergman density function…
We establish explicit quenched asymptotics for pure-jump symmetric L\'evy processes in general Poissonian potentials, which is closely related to large time asymptotic behavior of solutions to the nonlocal parabolic Anderson problem with…
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…
In this paper, we numerically study a two-dimensional system modeling the dynamics of dislocation densities. This system is hyperbolic, but not strictly hyperbolic, and couples two non-local transport equations. It is characterized by weak…
The bulk properties (lattice constants, bulk moduli, and cohesive energies) of alkali, alkaline-earth, and transition metals are studied within the framework of the recently developed meta-GGA (meta-Generalized Gradient Approximation)…
First approach of invariant densities of a Perron Frobenius operator. Asymptotic behaviours of ODE or PDE, as, are most interesting. The associed infinitesimal iteration is. If is partially linear, a random distribution can be asymptotic…
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in modern density functional approximations. This issue is…
This paper deals with the numerical integration of well-posed multiscale systems of ODEs or evolutionary PDEs. As these systems appear naturally in engineering problems, time-subcycling techniques are widely used every day to improve…
Regularized kernel methods such as, e.g., support vector machines and least-squares support vector regression constitute an important class of standard learning algorithms in machine learning. Theoretical investigations concerning…
Asymptotic concentration behaviors of linear combinations of weight distributions on the random linear code ensemble are presented. Many important properties of a binary linear code can be expressed as the form of a linear combination of…
We describe a method to derive, from first principles, the long-distance asymptotic behavior of correlation functions of integrable models in the framework of the algebraic Bethe ansatz. We apply this approach to the longitudinal spin- spin…
The ubiquitous time-delay estimation (TDE) problem becomes nontrivial when sensors are non-co-located and communication between them is limited. Building on the recently proposed "extremum encoding" compression-estimation scheme, we address…