相关论文: A Nonlocal Functional Promoting Low-Discrepancy Po…
The study of higher order energy functionals was first proposed by Eells and Sampson in 1965 and, later, by Eells and Lemaire in 1983. These functionals provide a natural generalization of the classical energy functional. More precisely,…
We examine the linear and nonlinear modes of a one-dimensional nonlinear electrical lattice, where the usual discrete Laplacian is replaced by a fractional discrete Laplacian. This induces a long-range intersite coupling that, at long…
We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green function. The theory determines the nonlocal effective medium…
We prove an energy inequality for nonlocal diffusion operators of the following type, and some of its generalisations: $Lu (x) := \int_{\mathbb{R}^N} K(x,y) (u(y) - u(x)) dy$, where $L$ acts on a real function $u$ defined on $\mathbb{R}^N$,…
Modern density functional approximations achieve moderate accuracy at low computational cost for many electronic structure calculations. Some background is given relating the gradient expansion of density functional theory to the WKB…
While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…
We investigate the properties of local minima of the energy landscape of a continuous non-convex optimization problem, the spherical perceptron with piecewise linear cost function and show that they are critical, marginally stable and…
The longitudinal structure function for nucleons and nuclei is considered at fixed $\sqrt{s}$ and $Q^2$ to the minimum value of $x$ given by $Q^2/s$. This is done using the expansion method and color dipole model in the next-to-leading…
Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between…
We show the existence of a limiting distribution $\cD_\cC$ of the adequately normalized discrepancy function of a random translation on a torus relative to a strictly convex set $\cC$. Using a correspondence between the small divisors in…
In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that…
Let $B^n\subset {\mathbb R}^{n}$ and ${\mathbb S}^n\subset {\mathbb R}^{n+1}$ denote the Euclidean $n$-dimensional unit ball and sphere respectively. The \textit{extrinsic $k$-energy functional} is defined on the Sobolev space $W^{k,2}\left…
The Hubbard model provides a test bed to investigate the complex behaviour arising from electron-electron interaction in strongly-correlated systems and naturally emerges as the foundation model for lattice density functional theory (DFT).…
We consider sequences of quadratic non-local functionals, depending on a small parameter $\e$, that approximate the Dirichlet integral by a well-known result by Bourgain, Brezis and Mironescu. Similarly to what is done for hard-core…
A leading twist expansion in terms of bilocal operators is proposed for the structure functions of deeply inelastic scattering near the elastic limit $x \to 1$, which is also applicable to a range of other hard quasi-elastic processes.…
Exact-exchange energy density and energy density of a semilocal density functional approximation are two key ingredients for modeling the static correlation, a strongly nonlocal functional of the density, through a local hybrid functional.…
The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…
Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the…
We use recent results that localized excitations in nonlinear Hamiltonian lattices can be viewed and described as multiple-frequency excitations. Their dynamics in phase space takes place on tori of corresponding dimension. For a…
We use recent results that localized excitations in nonlinear Hamiltonian lattices can be viewed and described as multiple-frequency excitations. Their dynamics in phase space takes place on tori of corresponding dimension. For a…