Search results for "funktion"
showing 10 items of 213 documents
Plasmon excitations in chemically heterogeneous nanoarrays
2020
| openaire: EC/H2020/838996/EU//RealNanoPlasmon The capability of collective excitations, such as localized surface plasmon resonances, to produce a versatile spectrum of optical phenomena is governed by the interactions within the collective and single-particle responses in the finite system. In many practical instances, plasmonic metallic nanoparticles and arrays are either topologically or chemically heterogeneous, which affects both the constituent transitions and their interactions. Here, the formation of collective excitations in weakly Cu- and Pd-doped Au nanoarrays is described using time-dependent density functional theory. The additional impurity-induced modes in the optical respo…
Properties of spherical and deformed nuclei using regularized pseudopotentials in nuclear DFT
2020
We developed new parameterizations of local regularized finite-range pseudopotentials up to next-to-next-to-next-to-leading order (N3LO), used as generators of nuclear density functionals. When supplemented with zero-range spin-orbit and density-dependent terms, they provide a correct single-reference description of binding energies and radii of spherical and deformed nuclei. We compared the obtained results to experimental data and discussed benchmarks against the standard well-established Gogny D1S functional.
Grand canonical ensemble approach to electrochemical thermodynamics, kinetics, and model Hamiltonians
2021
The unique feature of electrochemistry is the ability to control reaction thermodynamics and kinetics by the application of electrode potential. Recently, theoretical methods and computational approaches within the grand canonical ensemble (GCE) have enabled to explicitly include and control the electrode potential in first principles calculations. In this review, recent advances and future promises of GCE density functional theory and rate theory are discussed. Particular focus is devoted to considering how the GCE methods either by themselves or combined with model Hamiltonians can be used to address intricate phenomena such as solvent/electrolyte effects and nuclear quantum effects to pr…
Pointwise Inequalities for Sobolev Functions on Outward Cuspidal Domains
2019
Abstract We show that the 1st-order Sobolev spaces $W^{1,p}(\Omega _\psi ),$$1<p\leq \infty ,$ on cuspidal symmetric domains $\Omega _\psi $ can be characterized via pointwise inequalities. In particular, they coincide with the Hajłasz–Sobolev spaces $M^{1,p}(\Omega _\psi )$.
Density of Lipschitz functions in energy
2020
In this paper, we show that the density in energy of Lipschitz functions in a Sobolev space $N^{1,p}(X)$ holds for all $p\in [1,\infty)$ whenever the space $X$ is complete and separable and the measure is Radon and finite on balls. Emphatically, $p=1$ is allowed. We also give a few corollaries and pose questions for future work. The proof is direct and does not involve the usual flow techniques from prior work. It also yields a new approximation technique, which has not appeared in prior work. Notable with all of this is that we do not use any form of Poincar\'e inequality or doubling assumption. The techniques are flexible and suggest a unification of a variety of existing literature on th…
Universal differentiability sets and maximal directional derivatives in Carnot groups
2019
We show that every Carnot group G of step 2 admits a Hausdorff dimension one `universal differentiability set' N such that every real-valued Lipschitz map on G is Pansu differentiable at some point of N. This relies on the fact that existence of a maximal directional derivative of f at a point x implies Pansu differentiability at the same point x. We show that such an implication holds in Carnot groups of step 2 but fails in the Engel group which has step 3.
Characterisation of upper gradients on the weighted Euclidean space and applications
2020
In the context of Euclidean spaces equipped with an arbitrary Radon measure, we prove the equivalence among several different notions of Sobolev space present in the literature and we characterise the minimal weak upper gradient of all Lipschitz functions.
Dyadic Norm Besov-Type Spaces as Trace Spaces on Regular Trees
2019
In this paper, we study function spaces defined via dyadic energies on the boundaries of regular trees. We show that correct choices of dyadic energies result in Besov-type spaces that are trace spaces of (weighted) first order Sobolev spaces.
Decoupling on the Wiener Space, Related Besov Spaces, and Applications to BSDEs
2021
We introduce a decoupling method on the Wiener space to define a wide class of anisotropic Besov spaces. The decoupling method is based on a general distributional approach and not restricted to the Wiener space. The class of Besov spaces we introduce contains the traditional isotropic Besov spaces obtained by the real interpolation method, but also new spaces that are designed to investigate backwards stochastic differential equations (BSDEs). As examples we discuss the Besov regularity (in the sense of our spaces) of forward diffusions and local times. It is shown that among our newly introduced Besov spaces there are spaces that characterize quantitative properties of directional derivat…
A density result on Orlicz-Sobolev spaces in the plane
2018
We show the density of smooth Sobolev functions $W^{k,\infty}(\Omega)\cap C^\infty(\Omega)$ in the Orlicz-Sobolev spaces $L^{k,\Psi}(\Omega)$ for bounded simply connected planar domains $\Omega$ and doubling Young functions $\Psi$.