Related papers: Automated selection of the local potential for tra…
The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic…
The optimized effective potential (OEP) approach has so far mainly been used in benchmark studies and for the evaluation of band gaps. In this work, we extend the application of the OEP by determining the analytical ionic forces within the…
The accurate characterization of eigenmodes and eigenfrequencies of two-dimensional ion crystals provides the foundation for the use of such structures for quantum simulation purposes. We present a combined experimental and theoretical…
The contact interaction is often used in modeling ultracold atomic gases, although it leads to pathological behavior arising from the divergence of the many-body wavefunction when two particles coalesce. This makes it difficult to use this…
We propose a new metaheuristic training scheme that combines Stochastic Gradient Descent (SGD) and Discrete Optimization in an unconventional way. Our idea is to define a discrete neighborhood of the current SGD point containing a number of…
This paper addresses the secure state estimation problem for continuous linear time-invariant systems with non-periodic and asynchronous sampled measurements, where the sensors need to transmit not only measurements but also sampling…
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.…
Small-Signal Stability Constrained Optimal Power Flow (SSSC-OPF) can provide additional stability measures and control strategies to guarantee the system to be small-signal stable. However, due to the nonsmooth property of the spectral…
We consider a semi-classical Schrodinger operator with a degenerate potential V(x,y) =f(x) g(y) . g is assumed to be a homogeneous positive function of m variables and f is a strictly positive function of n variables, with a strict minimum.…
Conformal prediction is a simple and powerful tool that can quantify uncertainty without any distributional assumptions. Many existing methods only address the average coverage guarantee, which is not ideal compared to the stronger…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
The problems related to the existence of the spurious dipole mode (SDM) in the self-consistent nuclear-structure models are considered. A method is formulated that allows to eliminate coupling of the SDM with the physical modes in the…
A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…
A scanning tunneling microscopy based potentiometry technique for the measurements of the local surface electric potential is presented and illustrated by experiments performed on current-carrying thin tungsten films. The obtained results…
We analyze transition potentials $(V(r) \stackrel{r\sim 0}{\rightarrow} {\alpha r^{-2}})$ in non-relativistic quantum mechanics using the techniques of supersymmetry. For the range $-1/4 < \alpha < 3/4$, the eigenvalue problem becomes…
We propose a numerical method for evaluating eigenvalues and eigenfunctions of Schr\"odinger operators with general confining potentials. The method is selective in the sense that only the eigenvalue closest to a chosen input energy is…
We present a zero-range pseudopotential applicable for all partial wave interactions between neutral atoms. For p- and d-waves we derive effective pseudopotentials, which are useful for problems involving anisotropic external potentials.…
Extending our previous work \cite{filinov-etal.jpa03ik} we present a detailed discussion of accuracy and practical applications of finite-temperature pseudopotentials for two-component Coulomb systems. Different pseudopotentials are…
We introduce a novel algorithm that computes the $k$-sparse principal component of a positive semidefinite matrix $A$. Our algorithm is combinatorial and operates by examining a discrete set of special vectors lying in a low-dimensional…
Spatially localized structures are key components of turbulence and other spatio-temporally chaotic systems. From a dynamical systems viewpoint, it is desirable to obtain corresponding exact solutions, though their existence is not…