Related papers: Linear response strength functions with iterative …
This letter announces and summarizes results obtained in arXiv:1111.5051 and considers several natural extensions. The aforementioned paper proposes a procedure to reconstruct coefficients in a second-order, scalar, elliptic equation from…
The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient…
In this paper we address the numerical solution of nonlinear ill-posed systems by iterative regularization methods in the classes of Levenberg-Marquardt, trust-region and adaptive quadratic regularization procedures. Both with exact and…
We employ a propagator technique to derive a new relativistic $1/\qq$ expansion of the structure function of a nucleus, composed of point-nucleons. We exploit non-relativistic features of low-momentum nucleons in the target and only treat…
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…
This paper investigates nonlinear panel regression models with interactive fixed effects and introduces a general framework for parameter estimation under potentially non-convex objective functions. We propose a computationally feasible…
The Linearized Poisson--Boltzmann (LPB) equation is a popular and widely accepted model for accounting solvent effects in computational (bio-) chemistry. In the present article we derive the analytical forces of the…
The nuclear wobbling motion in the Lu region is studied by the microscopic cranked mean-field plus RPA method. The Woods-Saxon potential is used as a mean-field with a new parameterization which gives reliable description of rapidly…
We present a method to compute high-order derivatives of the total energy which can be used in the framework of density functional theory. We provide a proof of the $2n+1$ theorem for a general class of energy functionals in which the…
We explore the ability of the recently established quasilocal density functional theory for describing the isoscalar giant monopole resonance. Within this theory we use the scaling approach and perform constrained calculations for obtaining…
This article analyzes well-definedness and regularity of renormalized powers of Ornstein-Uhlenbeck processes and uses this analysis to establish local existence, uniqueness and regularity of strong solutions of stochastic Ginzburg-Landau…
We introduce a numerical framework for reconstructing the potential in two dimensional semilinear elliptic PDEs with power type nonlinearities from the nonlinear Dirichlet to Neumann map. By applying higher order linearization method, we…
The relativistic mean-field plus RPA calculations, based on effective Lagrangians with density-dependent meson-nucleon vertex functions, are employed in a microscopic analysis of the nuclear matter compressibility and symmetry energy. We…
Within the relativistic mean field framework, in an extended Thomas-Fermi approximation, we calculate the binding energy and charge distribution radius for the latest superheavy nuclei, synthesised in various laboratories, with atomic…
Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
Numerical interpolation techniques are widely employed for calculating large rational functions in scattering amplitude computations. It has been observed in recent years that these rational functions greatly simplify upon partial…
We extend the classical Bernstein technique to the setting of integro-differential operators. As a consequence, we provide first and one-sided second derivative estimates for solutions to fractional equations, including some convex fully…
Achieving robustness against adversarial input perturbation is an important and intriguing problem in machine learning. In the area of semantic image segmentation, a number of adversarial training approaches have been proposed as a defense…
In this paper, we developed a basis-independent perturbative method for calculating the non-linear optical response of arbitrary non-interacting tight-binding models. Our method is based on the non-equilibrium Keldysh formalism and allows…