Related papers: Optimized norm-conserving Vanderbilt pseudopotenti…
We investigate multiple scattering of scalar waves by an ensemble of $N$ resonant point scatterers in three dimensions. For up to $N = 21$ scatterers, we numerically optimize the positions of the individual scatterers, such as to maximize…
We prove residual-type a posteriori error estimates in the maximum norm for a linear scalar elliptic convection-diffusion problem that may be singularly perturbed. Similar error analysis in the energy norm by Verf\"{u}rth indicates that a…
Approximating a function with a finite series, e.g., involving polynomials or trigonometric functions, is a critical tool in computing and data analysis. The construction of such approximations via now-standard approaches like least squares…
Optimization problems often involve vector norms, which has led to extensive research on developing algorithms that can handle objectives beyond the $\ell_p$ norms. Our work introduces the concept of submodular norms, which are a versatile…
Three types of microscopic nucleus-nucleus optical potentials are constructed using three patterns for their real and imaginary parts. Two of these patterns are the real $V^H$ and imaginary $W^H$ parts of the potential which reproduces the…
The balance of pseudomomentum is discussed and applied to simple elasticity, ideal fluids, and the mechanics of inextensible rods and sheets. A general framework is presented in which the simultaneous variation of an action with respect to…
We derive a posteriori error estimates for the the scalar wave equation discretized in space by continuous finite elements and in time by the explicit leapfrog scheme. Our analysis combines the idea of invoking extra time-regularity for the…
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combination of symmetry projection for strong correlation and…
In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed.…
Volume-preserving hyperelastic materials are widely used to model near-incompressible materials such as rubber and soft tissues. However, the numerical simulation of volume-preserving hyperelastic materials is notoriously challenging within…
The stability of two-dimensional bright vortex solitons in a media with focusing cubic and defocusing quintic nonlinearities is investigated analytically and numerically. It is proved that above some critical beam powers not only one- and…
It is known that multidimensional complex potentials obeying $\mathcal{PT}$-symmetry may possess all real spectra and continuous families of solitons. Recently it was shown that for multi-dimensional systems these features can persist when…
The existence of stable solitons in two- and three-dimensional (2D and 3D) media governed by the self-focusing cubic nonlinear Schr\"{o}dinger equation with a periodic potential is demonstrated by means of the variational approximation (VA)…
We adapt the quasi-monotone method from [2] for composite convex minimization in the stochastic setting. For the proposed numerical scheme we derive the optimal convergence rate in terms of the last iterate, rather than on average as it is…
Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [Weber, Niklasson and Challacombe, Phys. Rev.\ Lett. {\bf 92}, 193002 (2004)] is extended to the computation of higher order static…
We describe a new algorithm for trajectory optimization of mechanical systems. Our method combines pseudo-spectral methods for function approximation with variational discretization schemes that exactly preserve conserved mechanical…
`Dual composition', a new method of constructing energy-preserving discretizations of conservative PDEs, is introduced. It extends the summation-by-parts approach to arbitrary differential operators and conserved quantities. Links to…
We investigate optimal discrimination between two projective quantum measurements on a single qubit. We consider scenario where the measurement that should be identified can be performed twice and we show that adaptive discrimination…
A simple methodology is suggested for the efficient calculation of certain central potentials having singularities. The generalized pseudospectral method used in this work facilitates {\em nonuniform} and optimal spatial discretization.…
Concentration-compactness is used to prove compactness of maximising sequences for a variational problem governing symmetric steady vortex-pairs in a uniform planar ideal fluid flow, where the kinetic energy is to be maximised and the…